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PP121

Description

PP121 : A pyrazolopyrimidine that is 1H-pyrazolo[3,4-d]pyrimidine which is substituted by a cyclopentyl, 1H-pyrrolo[2,3-b]pyridin-5-yl, and amino groups at positions 1, 3 and 4, respectively. It is a dual inhibitor of tyrosine and phosphoinositide kinases and exhibits anti-cancer properties. [CHeBI]

Cross-References

ID Source	ID
PubMed CID	24905142
CHEMBL ID	1081312
SCHEMBL ID	12265009
CHEBI ID	50915

Synonyms (41)

Synonym
HY-10372
1092788-83-4
pp-121
pp121 ,
CHEBI:50915 ,
1-cyclopentyl-3-(1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
KS1 ,
DB08052
bdbm50313645
KINOME_2001
CHEMBL1081312 ,
A25460
pp 121
NCGC00346619-01
CS-0087
S2622
gtpl8013
MLS006010957
smr004702761
J-504558
AKOS024457855
1-cyclopentyl-3-(1h-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SCHEMBL12265009
unii-5b9vb06146
AC-28461
1h-pyrazolo[3,4-d]pyrimidin-4-amine, 1-cyclopentyl-3-(1h-pyrrolo[2,3-b]pyridin-5-yl)-
DTXSID00648002
1-cyclopentyl-3-(1h-pyrrolo(2,3-b)pyridin-5-yl)-1h-pyrazolo(3,4-d)pyrimidin-4-amine
1h-pyrazolo(3,4-d)pyrimidin-4-amine, 1-cyclopentyl-3-(1h-pyrrolo(2,3-b)pyridin-5-yl)-
5B9VB06146 ,
HMS3656D05
pp121, >=98% (hplc)
NCGC00346619-07
SW218262-2
FT-0760470
EX-A2139
Q27088428
BCP02256
SB16563
CCG-267692
AS-55839

Roles (3)

Role	Description
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol.
tyrosine kinase inhibitor	Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
antineoplastic agent	A substance that inhibits or prevents the proliferation of neoplasms.

Drug Classes (4)

Class	Description
pyrazolopyrimidine
pyrrolopyridine
cyclopentanes	Cyclopentane and its derivatives formed by substitution.
aromatic amine	An amino compound in which the amino group is linked directly to an aromatic system.

Protein Targets (26)

Potency Measurements

Protein	Taxonomy	Measurement	Average (mM)	Bioassay(s)
Fumarate hydratase	Homo sapiens (human)	Potency	16.6261	AID1347053
PPM1D protein	Homo sapiens (human)	Potency	0.8289	AID1347411
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	9.5221	AID1645841
EWS/FLI fusion protein	Homo sapiens (human)	Potency	1.0682	AID1259252; AID1259253; AID1259255; AID1259256
G	Vesicular stomatitis virus	Potency	0.4253	AID1645842
polyprotein	Zika virus	Potency	16.6261	AID1347053
Interferon beta	Homo sapiens (human)	Potency	0.7280	AID1347411; AID1645842
HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)	Potency	0.4253	AID1645842
Inositol hexakisphosphate kinase 1	Homo sapiens (human)	Potency	0.4253	AID1645842
cytochrome P450 2C9, partial	Homo sapiens (human)	Potency	0.4253	AID1645842

Inhibition Measurements

Protein	Taxonomy	Measurement	Average (mM)	Bioassay(s)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	Homo sapiens (human)	IC50	0.1500	AID507074
Tyrosine-protein kinase ABL1	Homo sapiens (human)	IC50	0.0127	AID463630; AID507079; AID507086
Epidermal growth factor receptor	Homo sapiens (human)	IC50	0.2600	AID507084
Proto-oncogene tyrosine-protein kinase receptor Ret	Homo sapiens (human)	IC50	0.0010	AID507036
Tyrosine-protein kinase HCK	Homo sapiens (human)	IC50	0.0080	AID507080
Breakpoint cluster region protein	Homo sapiens (human)	IC50	0.0180	AID463630
Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)	IC50	0.0140	AID463628; AID507081
Vascular endothelial growth factor receptor 2	Homo sapiens (human)	IC50	0.0217	AID463633; AID507045; AID507083
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	Homo sapiens (human)	IC50	0.0520	AID463655; AID507072
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	Homo sapiens (human)	IC50	1.4000	AID507073
Serine/threonine-protein kinase mTOR	Homo sapiens (human)	IC50	0.0100	AID1784984; AID463656; AID507076
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	Homo sapiens (human)	IC50	1.1000	AID507075
Ephrin type-B receptor 4	Homo sapiens (human)	IC50	0.1900	AID507085
DNA-dependent protein kinase catalytic subunit	Homo sapiens (human)	IC50	0.0600	AID507077
Serine/threonine-protein kinase ATR	Homo sapiens (human)	IC50	1.4200	AID1376401
Phosphatidylinositol 4-kinase beta	Homo sapiens (human)	IC50	0.0600	AID507078

Bioassays (358)

Assay ID	Title	Year	Journal	Article
AID493040	Navigating the Kinome	2011	Nature chemical biology, Apr, Volume: 7, Issue:4 ISSN: 1552-4469	Navigating the kinome.
AID507482	Inhibition of AURKC at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507069	Cell cycle arrest in mouse BA/F3 cells harboring Bcr/Abl T315I mutant gene assessed as accumulation at G0/G1 phase at 2.5 uM after 24 hrs by FACS analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507081	Inhibition of recombinant c-Src by radioactive phosphotransfer assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507380	Inhibition of Brk at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507560	Inhibition of IRAK4 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507034	Inhibition of v-Src phosphorylation expressed in mouse NIH/3T3 cells at 0.08 to 20 uM by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507411	Inhibition of SYK at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID463656	Inhibition of mTOR	2010	Journal of medicinal chemistry, Feb-25, Volume: 53, Issue:4 ISSN: 1520-4804	Selectively nonselective kinase inhibition: striking the right balance.
AID507405	Inhibition of MSSK1 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507504	Inhibition of CSK at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507065	Induction of apoptosis in mouse BA/F3 harboring Bcr/Abl T315I mutant gene at 5 uM after 72 hrs by FITC-conjugated annexin V staining-based FACS analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507051	Inhibition of Bcr/Abl-mediated tyrosine phosphorylation in mouse BA/F3 cells at 0.08 to 20 uM after 120 mins by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507041	Inhibition of VEGF-stimulated ERK1/2 activation in HUVEC at 0.04 to 10 uM after 30 mins by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507340	Inhibition of TRKA at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507035	Inhibition of v-Src expressed in mouse NIH/3T3 cells assessed as restoration of actin stress fiber at 2.5 uM after 24 hrs by FITC-conjugated DAPI staining	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507394	Inhibition of RPS6KB1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507333	Inhibition of MYLK2 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507341	Inhibition of TRKB at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507398	Inhibition of SRC at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507050	Inhibition of Bcr/Abl-mediated tyrosine phosphorylation in human K562 cells at 0.08 to 20 uM after 120 mins by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507536	Inhibition of FGFR1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507338	Inhibition of NEK7 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507328	Inhibition of MET M1250T mutant at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507500	Inhibition of CLK1 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507487	Inhibition of BRSK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507079	Inhibition of recombinant c-Abl by radioactive phosphotransfer assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507092	Inhibition of ALK4 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507330	Inhibition of RON at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507357	Inhibition of PIM2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507363	Inhibition of PKCalpha at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507369	Inhibition of PKCeta at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507064	Induction of apoptosis in mouse BA/F3 cells harboring Bcr/Abl gene at 2.5 uM after 36 hrs by FITC-conjugated annexin V staining-based FACS analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507554	Inhibition of HIPK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507298	Inhibition of JAK3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507304	Inhibition of LYN A at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507315	Inhibition of p38beta at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507541	Inhibition of FGR at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507553	Inhibition of HCK at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507393	Inhibition of RSK4 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507562	Inhibition of JAK2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507061	Antiproliferative activity against mouse BA/F3 cells harboring Bcr/Abl T315I mutant gene at 2.5 uM after 9 days by fluorescence assay	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507331	Inhibition of MST4 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507093	Inhibition of GRK2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507073	Inhibition of recombinant PI3Kbeta by radioactive phosphotransfer assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507099	Inhibition of AMPK alpha-1/beta-1/gamma-1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507494	Inhibition of MRCKalpha at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507310	Inhibition of MLK1 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507088	Inhibition of ABL1 G250E mutant at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507527	Inhibition of EPHA8 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507299	Inhibition of VEGFR2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507091	Inhibition of ABL2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507317	Inhibition of p38delta at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507365	Inhibition of PRKCbeta2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507339	Inhibition of NEK9 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507522	Inhibition of EPHA1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507400	Inhibition of SRMS at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507058	Antiproliferative activity against human K562 cells harboring Bcr/Abl gene at 2.5 uM after 9 days by fluorescence assay	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507071	Inhibition of S6K phosphorylation in mouse BA/F3 cells harboring Bcr/Abl T315I mutant gene at 0.08 to 20 uM after 120 mins by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507313	Inhibition of MAP4K5 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507410	Inhibition of STK6 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID1784984	Inhibition of mTOR (unknown origin) using U-Light-4E-BP1 peptide as a substrate in the presence of ATP incubated for 30 mins by Lance ultra assay	2021	European journal of medicinal chemistry, Dec-05, Volume: 225ISSN: 1768-3254	Design, synthesis and biological evaluation of novel hybrids targeting mTOR and HDACs for potential treatment of hepatocellular carcinoma.
AID507346	Inhibition of PAK6 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507046	Antiangiogenic activity against HUVEC after 24 hrs by calcein AM staining-based fluorescent microscopy	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507395	Inhibition of SGK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507053	Inhibition of Bcr/Abl T315I mutant-mediated tyrosine phosphorylation in mouse BA/F3 cells at 0.08 to 20 uM after 120 mins by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507047	Antiangiogenic activity against HUVEC at 0.04 to 10 uM after 24 hrs by calcein AM staining-based fluorescent microscopy	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507409	Inhibition of STK4 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507557	Inhibition of IKK-beta at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507415	Inhibition of TYRO3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507314	Inhibition of MAPK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507486	Inhibition of B-Raf V599E mutant at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507532	Inhibition of HER2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507329	Inhibition of MINK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507318	Inhibition of p38alpha at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID463633	Inhibition of VEGFR2	2010	Journal of medicinal chemistry, Feb-25, Volume: 53, Issue:4 ISSN: 1520-4804	Selectively nonselective kinase inhibition: striking the right balance.
AID507535	Inhibition of FES at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507497	Inhibition of CDK2/Cyclin A at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507498	Inhibition of CDK2/P35 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507372	Inhibition of PKCtheta at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507087	Inhibition of ABL1 E255K mutant at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507089	Inhibition of ABL1 T315I mutant at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507291	Inhibition of Akt in human U87 cells at 0.04 to 10 uM by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507563	Inhibition of JAK2 JH1/JH2 domain at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507537	Inhibition of FGFR2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507344	Inhibition of PAK3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507385	Inhibition of ROCK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507326	Inhibition of MERTK at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507075	Inhibition of recombinant PI3Kgamma by radioactive phosphotransfer assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID463628	Inhibition of Src	2010	Journal of medicinal chemistry, Feb-25, Volume: 53, Issue:4 ISSN: 1520-4804	Selectively nonselective kinase inhibition: striking the right balance.
AID507052	Inhibition of Bcr/Abl T315I mutant-mediated tyrosine phosphorylation in human K562 cells at 0.08 to 20 uM after 120 mins by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507561	Inhibition of ITK at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507545	Inhibition of FLT4 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507376	Inhibition of PRKG1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507036	Inhibition of Ret	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507370	Inhibition of PKCiota at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507518	Inhibition of DYRK4 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507417	Inhibition of ZAP70 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507054	Antiproliferative activity against human K562 cells harboring Bcr/Abl gene assessed as decrease in cell number at 2.5 uM after 9 days by hemocytometry	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507413	Inhibition of TBK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507293	Inhibition of Akt in human LN229 cells at 0.04 to 10 uM by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507040	Inhibition of VEGF-stimulated Akt activation in HUVEC at 0.04 to 10 uM after 30 mins by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507384	Inhibition of RET Y791F mutant at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507321	Inhibition of MAPKAPK3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507406	Inhibition of MST3 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507097	Inhibition of AKT3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507361	Inhibition of PLK3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507090	Inhibition of ABL1 Y253F mutant at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507301	Inhibition of KIT T670I mutant at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507396	Inhibition of SGK2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507503	Inhibition of CSF1R at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507383	Inhibition of RET V804L mutant at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507493	Inhibition of CAMK4 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507485	Inhibition of B-Raf at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507401	Inhibition of SRPK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507359	Inhibition of PLK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507300	Inhibition of KIT at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507072	Inhibition of recombinant PI3Kalpha by radioactive phosphotransfer assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507488	Inhibition of BTK at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507086	Inhibition of ABL1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507078	Inhibition of recombinant PI4Kbeta by radioactive phosphotransfer assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507319	Inhibition of MAPK3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507348	Inhibition of PASK at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507368	Inhibition of PKCgamma at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507306	Inhibition of MEK1 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507056	Antiproliferative activity against mouse BA/F3 cells harboring Bcr/Abl gene assessed as decrease in cell number at 2.5 uM after 9 days by hemocytometry	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507296	Inhibition of ERK1/2 in human U87 cells at 0.04 to 10 uM by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507031	Cell cycle arrest in human U87 cells assessed as accumulation at G0/G1 phase at 2.5 uM after 24 hrs by FACS analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507371	Inhibition of PRKCN at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507489	Inhibition of CaMK1delta at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID1376401	Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ATRIP	2017	Bioorganic & medicinal chemistry letters, 02-15, Volume: 27, Issue:4 ISSN: 1464-3405	Discovery of pyrazolopyrimidine derivatives as novel inhibitors of ataxia telangiectasia and rad3 related protein (ATR).
AID507355	Inhibition of PHKG2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID463655	Inhibition of PI3K p110-alpha	2010	Journal of medicinal chemistry, Feb-25, Volume: 53, Issue:4 ISSN: 1520-4804	Selectively nonselective kinase inhibition: striking the right balance.
AID507386	Inhibition of ROCK2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507356	Inhibition of PIM1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507295	Inhibition of S6K in human LN229 cells at 0.04 to 10 uM by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507491	Inhibition of CaMK2beta at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507513	Inhibition of ZIPK at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507094	Inhibition of GRK3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507096	Inhibition of AKT2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507521	Inhibition of EGFR L861Q mutant at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507530	Inhibition of EPHB3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507294	Inhibition of p70S6K1 in human LN229 cells at 0.04 to 10 uM by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507373	Inhibition of PKCzeta at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507349	Inhibition of PDGFRalpha at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507342	Inhibition of TRKC at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507544	Inhibition of FLT3 D835Y mutant at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507502	Inhibition of CLK3 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507297	Inhibition of JAK2 JH1/JH2 domain V617F mutant at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507060	Antiproliferative activity against mouse BA/F3 cells harboring Bcr/Abl gene at 2.5 uM after 9 days by fluorescence assay	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507490	Inhibition of CaMK2alpha at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507374	Inhibition of PKCmu at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507028	Inhibition of ERK1/2 in human LN229 cells at 0.04 to 10 uM by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507548	Inhibition of GRK5 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507045	Inhibition of VEGFR2-mediated proliferation of HUVEC in VEGF-supplemented medium at 0.04 to 10 uM after 24 hrs by fluorescence assay	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507085	Inhibition of recombinant EphB4R by radioactive phosphotransfer assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507516	Inhibition of DYRK1B at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507043	Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC at 0.04 to 10 uM after 30 mins by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507407	Inhibition of YSK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507547	Inhibition of GRK4 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507366	Inhibition of PKCdelta at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507520	Inhibition of EGFR L858R mutant at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507542	Inhibition of FLT1 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507354	Inhibition of PHKG1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507543	Inhibition of FLT3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507364	Inhibition of PRKCbeta1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507402	Inhibition of SRPK2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507067	Cell cycle arrest in human K562 cells harboring Bcr/Abl T315I mutant gene assessed as accumulation at G0/G1 phase at 2.5 uM after 24 hrs by FACS analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507484	Inhibition of BMX at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507524	Inhibition of EPHA3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507507	Inhibition of CK1epsilon at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507375	Inhibition of PRKD2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507325	Inhibition of MATK at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507523	Inhibition of EPHA2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507552	Inhibition of GSK3-beta at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507353	Inhibition of PDK1 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507418	Inhibition of FYN at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507382	Inhibition of RET at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507538	Inhibition of FGFR3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507037	Inhibition of Ret autophosphorylation in human TT cells at 0.04 to 10 uM after 2 hrs by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507068	Cell cycle arrest in mouse BA/F3 cells harboring Bcr/Abl gene assessed as accumulation at G0/G1 phase at 2.5 uM after 24 hrs by FACS analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507305	Inhibition of LYN B at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507509	Inhibition of CK1gamma2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507080	Inhibition of recombinant HCK by radioactive phosphotransfer assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507351	Inhibition of PDGFRalpha T674I mutant at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID463623	Inhibition of PDGFR	2010	Journal of medicinal chemistry, Feb-25, Volume: 53, Issue:4 ISSN: 1520-4804	Selectively nonselective kinase inhibition: striking the right balance.
AID507324	Inhibition of MARK2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507292	Inhibition of p70S6K1 in human U87 cells at 0.04 to 10 uM by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507526	Inhibition of EPHA5 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507495	Inhibition of MRCKbeta at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507531	Inhibition of EPHB4 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507076	Inhibition of recombinant mTOR by radioactive phosphotransfer assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507505	Inhibition of CK1alpha at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507360	Inhibition of PLK2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507029	Antiproliferative activity against human U87 cells harboring mutations in PI(3)K pathway components at 0.04 to 10 uM after 72 hrs by fluorescence assay	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507388	Inhibition of RSK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507307	Inhibition of MEK2 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507322	Inhibition of MAPKAPK5 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507404	Inhibition of TSSK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507499	Inhibition of CHK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507343	Inhibition of PAK2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507309	Inhibition of COT at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507508	Inhibition of CK1gamma1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507399	Inhibition of SRC N1 domain at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507334	Inhibition of NEK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507303	Inhibition of LTK at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507555	Inhibition of HIPK4 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507084	Inhibition of recombinant EGFR by radioactive phosphotransfer assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507525	Inhibition of EPHA4 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507403	Inhibition of TSSK2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507083	Inhibition of recombinant VEGFR2 by radioactive phosphotransfer assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507512	Inhibition of CK2alpha2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507534	Inhibition of FER at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507033	Cell cycle arrest in human SEG1 cells assessed as accumulation at G0/G1 phase at 2.5 uM after 24 hrs by FACS analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507347	Inhibition of PAK7 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507308	Inhibition of MEK6 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507312	Inhibition of HGK at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507095	Inhibition of AKT1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507057	Antiproliferative activity against mouse BA/F3 cells harboring Bcr/Abl T315I mutant gene assessed as decrease in cell number at 2.5 uM after 9 days by hemocytometry	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507550	Inhibition of GRK7 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507391	Inhibition of MSK2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507540	Inhibition of FGFR4 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507098	Inhibition of ALK at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507302	Inhibition of LCK at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507551	Inhibition of GSK3alpha at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507320	Inhibition of MAPKAPK2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507063	Induction of apoptosis in human K562 cells harboring Bcr/Abl T315I mutant gene at 5 uM after 72 hrs by FITC-conjugated annexin V staining-based FACS analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507412	Inhibition of TAOK2 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507074	Inhibition of recombinant PI3Kdelta by radioactive phosphotransfer assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507377	Inhibition of PRKG2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507511	Inhibition of CK2alpha1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507533	Inhibition of HER4 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507408	Inhibition of STK3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507387	Inhibition of ROS1 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507350	Inhibition of PDGFRalpha D842V mutant at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507529	Inhibition of EPHB2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507077	Inhibition of DNA-PK by radioactive phosphotransfer assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507515	Inhibition of DYRK1A at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507501	Inhibition of CLK2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507492	Inhibition of CaMK2delta at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507039	Antiproliferative activity against human TT cells after 13 days by fluorescence assay	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507059	Antiproliferative activity against human K562 cells harboring Bcr/Abl T315I mutant gene at 2.5 uM after 9 days by fluorescence assay	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507316	Inhibition of p38-gamma at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507358	Inhibition of PRK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507390	Inhibition of RSK2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507389	Inhibition of RSK3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507066	Cell cycle arrest in human K562 cells harboring Bcr/Abl gene assessed as accumulation at G0/G1 phase at 2.5 uM after 24 hrs by FACS analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID463630	Inhibition of wild type Bcr-Abl	2010	Journal of medicinal chemistry, Feb-25, Volume: 53, Issue:4 ISSN: 1520-4804	Selectively nonselective kinase inhibition: striking the right balance.
AID507100	Inhibition of AURKB at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507335	Inhibition of NEK2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507378	Inhibition of PRKX at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507558	Inhibition of INSR at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507367	Inhibition of PKCepsilon at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507044	Inhibition of VEGFR2-mediated proliferation of HUVEC in complete medium at 0.04 to 10 uM after 24 hrs by fluorescence assay	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507352	Inhibition of PDGFRbeta at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507070	Inhibition of S6K phosphorylation in human K562 cells harboring Bcr/Abl T315I mutant gene at 0.08 to 20 uM after 120 mins by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507030	Antiproliferative activity against human LN229 cells harboring mutations in PI(3)K pathway components at 0.04 to 10 uM after 72 hrs by fluorescence assay	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507032	Cell cycle arrest in human LN229 cells assessed as accumulation at G0/G1 phase at 2.5 uM after 24 hrs by FACS analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507381	Inhibition of c-RAF at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507337	Inhibition of NEK6 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507528	Inhibition of EPHB1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507345	Inhibition of PAK4 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507311	Inhibition of GCK at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507323	Inhibition of MARK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507517	Inhibition of DYRK3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507332	Inhibition of MUSK at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507510	Inhibition of CK1gamma3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507042	Inhibition of VEGF-stimulated S6K activation in HUVEC at 0.04 to 10 uM after 30 mins by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507483	Inhibition of BLK at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507416	Inhibition of YES1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507519	Inhibition of ErbB1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507062	Induction of apoptosis in human K562 cells harboring Bcr/Abl gene at 2.5 uM after 36 hrs by FITC-conjugated annexin V staining-based FACS analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507336	Inhibition of NEK4 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507556	Inhibition of IGF1R at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507539	Inhibition of FGFR3 K650E mutant at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507514	Inhibition of DCK2 at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507290	Inhibition of S6K in human U87 cells at 0.04 to 10 uM by Western blot analysis	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507496	Inhibition of CDK1/Cyclin B at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507397	Inhibition of SGK3 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507055	Antiproliferative activity against human K562 cells harboring Bcr/Abl T315I mutant gene assessed as decrease in cell number at 2.5 uM after 9 days by hemocytometry	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507362	Inhibition of PRKACA at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507327	Inhibition of MET at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507392	Inhibition of MSK1 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507379	Inhibition of FAK2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507546	Inhibition of FRK at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507082	Inhibition of recombinant c-Src T338I mutant by radioactive phosphotransfer assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507559	Inhibition of IRR at 1 uM after 60 mins by FRET assay in presence of 100 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507506	Inhibition of CK1delta at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507414	Inhibition of Tie2 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID507549	Inhibition of GRK6 at 1 uM after 60 mins by FRET assay in presence of 10 uM ATP	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID1347122	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1 ISSN: 2472-5560	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347118	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845	Primary qHTS for Inhibitors of ATXN expression	2022	The Journal of biological chemistry, 08, Volume: 298, Issue:8 ISSN: 1083-351X
AID1347109	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347112	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347125	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508612	NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling	2017	Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3 ISSN: 1464-3391	Highly predictive and interpretable models for PAMPA permeability.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5 ISSN: 1521-0111	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347119	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173ISSN: 1872-9096	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1508591	NCATS Rat Liver Microsome Stability Profiling	2020	Scientific reports, 11-26, Volume: 10, Issue:1 ISSN: 2045-2322	Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
AID1347123	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5 ISSN: 1521-0111	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347110	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for A673 cells)	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347115	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347128	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347111	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347121	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173ISSN: 1872-9096	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347127	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347113	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347116	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347126	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173ISSN: 1872-9096	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347117	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4 ISSN: 2211-1247	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347129	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347124	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347114	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347159	Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347160	Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1645848	NCATS Kinetic Aqueous Solubility Profiling	2019	Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14 ISSN: 1464-3391	Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
AID1347411	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7 ISSN: 1554-8937	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347412	qHTS assay to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: Counter screen cell viability and HiBit confirmation	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7 ISSN: 1554-8937	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1345749	Human phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha (Phosphatidylinositol kinases)	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID1345778	Human phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta (Phosphatidylinositol kinases)	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID1345654	Human HCK proto-oncogene, Src family tyrosine kinase (Src family)	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID1345502	Human epidermal growth factor receptor (Type I RTKs: ErbB (epidermal growth factor) receptor family)	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID1345861	Human SRC proto-oncogene, non-receptor tyrosine kinase (Src family)	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID1345748	Human phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta (Phosphatidylinositol kinases)	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID1345563	Human platelet derived growth factor receptor alpha (Type III RTKs: PDGFR, CSFR, Kit, FLT3 receptor family)	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID1345606	Human ABL proto-oncogene 1, non-receptor tyrosine kinase (Abl family)	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID1345786	Human phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma (Phosphatidylinositol kinases)	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID1345726	Human mechanistic target of rapamycin kinase (FRAP subfamily)	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID1345506	Human kinase insert domain receptor (Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family)	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
AID1346204	Human DNA-dependent protein kinase catalytic subunit (Other PIKK family kinases)	2008	Nature chemical biology, Nov, Volume: 4, Issue:11 ISSN: 1552-4469	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.

Research

Studies (16)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	1 (6.25)	29.6817
2010's	7 (43.75)	24.3611
2020's	8 (50.00)	2.80

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	1 (6.25%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	15 (93.75%)	84.16%

Substance	Classes	Roles	Relationship Strength
1-NA-PP1	pyrazolopyrimidine	tyrosine kinase inhibitor	low
ag 1879	aromatic amine; monochlorobenzenes; pyrazolopyrimidine	beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector	low
zaleplon	nitrile; pyrazolopyrimidine	anticonvulsant; anxiolytic drug; central nervous system depressant; sedative	low
pyrazophos	ethyl ester; organic thiophosphate; pyrazolopyrimidine	antifungal agrochemical; insecticide; phospholipid biosynthesis inhibitor; profungicide	low
N-(2,4-dimethylphenyl)-1-methyl-4-pyrazolo[3,4-d]pyrimidinamine	pyrazolopyrimidine		low
5-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide	pyrazolopyrimidine		low
N-(2-furanylmethyl)-1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine	pyrazolopyrimidine		low
6-ethyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile	pyrazolopyrimidine		low
N-[(1,3-dimethyl-4-pyrazolyl)methyl]-5-(2-furanyl)-N-methyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide	pyrazolopyrimidine		low
LSM-32147	pyrazolopyrimidine		low
6-ethyl-5-methyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one	pyrazolopyrimidine		low
1-[(4-methylphenyl)methyl]-4-(1-pyrrolidinyl)pyrazolo[3,4-d]pyrimidine	pyrazolopyrimidine		low
3-chloro-5-(2-furanyl)-N-propan-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide	pyrazolopyrimidine		low
N-(2-furanylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide	pyrazolopyrimidine		low
3-chloro-N-(2-furanylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide	pyrazolopyrimidine		low
4-morpholinyl-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone	pyrazolopyrimidine		low
N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide	pyrazolopyrimidine		low
N-(1,3-benzodioxol-5-yl)-6-bromo-2-pyrazolo[1,5-a]pyrimidinecarboxamide	pyrazolopyrimidine		low
5-(2-furanyl)-N-[1-[(2-methylphenyl)methyl]-3-pyrazolyl]-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide	pyrazolopyrimidine		low
5,7-dimethyl-N-phenyl-2-pyrazolo[1,5-a]pyrimidinamine	pyrazolopyrimidine		low
N-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	pyrazolopyrimidine		low
LSM-20838	pyrazolopyrimidine		low
LSM-28486	pyrazolopyrimidine		low
5-(methoxymethyl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one	pyrazolopyrimidine		low
6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid methyl ester	pyrazolopyrimidine		low
1-[(5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester	pyrazolopyrimidine		low
N-(2-furanylmethyl)-5,7-dimethyl-6-[(3-methylphenyl)methyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide	pyrazolopyrimidine		low
5-(1-ethyl-3-methyl-4-pyrazolyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid	pyrazolopyrimidine		low
5,7-dimethyl-3-phenyldiazenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one	pyrazolopyrimidine		low
1-(phenylmethyl)-4-(phenylmethylthio)pyrazolo[3,4-d]pyrimidine	pyrazolopyrimidine		low
1-tert-butyl-3-naphthalen-1-ylmethyl-1h-pyrazolo(3,4-d)pyrimidin-4-ylemine	pyrazolopyrimidine	tyrosine kinase inhibitor	low
N-(2-furanylmethyl)-3-(2,4,8,10-tetramethyl-3-pyrido[2,3]pyrazolo[2,4-a]pyrimidinyl)propanamide	pyrazolopyrimidine		low
6-[(2-fluorophenyl)methyl]-5-methyl-N-(3-methylbutyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide	pyrazolopyrimidine		low
dorsomorphin	aromatic ether; piperidines; pyrazolopyrimidine; pyridines	bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor	low
cgp 57380	pyrazolopyrimidine		low
mk-8776	pyrazolopyrimidine		low
pci 32765	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
1-tert-butyl-5-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone	pyrazolopyrimidine		low
5-[(2-bromophenyl)methyl]-1-tert-butyl-4-pyrazolo[3,4-d]pyrimidinone	pyrazolopyrimidine		low
1-tert-butyl-5-[(4-fluoro-2,6-dimethylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone	pyrazolopyrimidine		low
1-tert-butyl-5-[[3-[(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)methyl]-2-fluorophenyl]methyl]-4-pyrazolo[3,4-d]pyrimidinone	pyrazolopyrimidine		low
1-tert-butyl-5-[(2,4-dichloro-5-fluorophenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone	pyrazolopyrimidine		low
1-tert-butyl-5-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone	pyrazolopyrimidine		low
5-[(2-bromo-6-chlorophenyl)methyl]-1-tert-butyl-4-pyrazolo[3,4-d]pyrimidinone	pyrazolopyrimidine		low
dinaciclib	pyrazolopyrimidine		low
bs-181	pyrazolopyrimidine		low
DMH1	aromatic ether; pyrazolopyrimidine; quinolines	antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor	low
pf 4800567	aromatic ether; monochlorobenzenes; oxanes; pyrazolopyrimidine	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
sildenafil	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent	low
oxypurinol	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor	low
Imidazosagatriazinone	pyrazolopyrimidine		low
tisopurine	pyrazolopyrimidine		low
pp242	aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine	antineoplastic agent; mTOR inhibitor	low
7-azaindole	pyrrolopyridine		low
cp 93129	pyrrolopyridine		low
N-(4-bromo-2-methylphenyl)-3-(1,3-dioxo-2-pyrrolo[3,4-c]pyridinyl)propanamide	pyrrolopyridine		low
7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one	pyrrolopyridine		low
N-cycloheptyl-3-(5,7-dioxo-6-pyrrolo[3,4-b]pyridinyl)propanamide	pyrrolopyridine		low
cp 94253	pyrrolopyridine		low
y-39983	pyrrolopyridine		low
SIS3 free base	aromatic ether; enamide; isoquinolines; monocarboxylic acid amide; pyrrolopyridine; tertiary carboxamide	Smad3 inhibitor	low
pha 767491	pyrrolopyridine		low
plx 4720	aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor	low
pexidartinib	aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinecarboxamide	pyrrolopyridine		low
plx4032	aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor	low
abt-199	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
cyclopentane	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent	low
1-(1-phenylcyclopentyl)methylamine	cyclopentanes; primary aliphatic amine		low
N-([biphenyl]-2-yl)-3-cyclopentylpropanamide	biphenyls; cyclopentanes; secondary carboxamide		low
palbociclib	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
b 43	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector	low
pd 173074	aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist	low
amitrole	aromatic amine; triazoles	carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide	low
4-aminopyridine	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker	low
5-(n,n-hexamethylene)amiloride	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker	low
ethylisopropylamiloride	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker	low
tacrine	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor	low
tyrphostin ag957	aromatic amine		low
ambroxol	aromatic amine		low
dan 2163	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic	low
antazoline	aromatic amine; imidazolines; tertiary amino compound	cholinergic antagonist; H1-receptor antagonist; xenobiotic	low
cgs 15943	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant	low
chlorambucil	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent	low
diclofenac	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic	low
doxazosin	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent	low
isothipendyl	aromatic amine; tertiary amino compound		low
lavendustin a	aromatic amine		low
2-hydroxy-5-(2,5-dihydrobenzyl)aminobenzoic acid	aromatic amine		low
6-anilino-5,8-quinolinedione	aminoquinoline; aromatic amine; p-quinones; quinolone	antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor	low
mafenide	aromatic amine		low
mesalamine	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug	low
pargyline	aromatic amine		low
pd 153035	aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist	low
pd 158780	aromatic amine; bromobenzenes; diamine; pyridopyrimidine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
pd 98059	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector	low
phenoxybenzamine	aromatic amine		low
imatinib	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor	low
tripelennamine	aromatic amine		low
4-aminodiphenylamine	aromatic amine; secondary amino compound	allergen	low
4,4'-diaminodiphenylmethane	aromatic amine	allergen; carcinogenic agent	low
dibenzylamine	aromatic amine		low
benzoquinonium	aromatic amine		low
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine	aromatic amine		low
neutral red base	aromatic amine; phenazines; primary amino compound; tertiary amino compound	acid-base indicator; dye; two-colour indicator	low
diphenylamine	aromatic amine; bridged diphenyl fungicide; secondary amino compound	antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger	low
prothipendyl	aromatic amine; tertiary amino compound		low
guanazole	aromatic amine; triazoles	antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor	low
amiloride	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker	low
6-aminonicotinic acid	aminonicotinic acid; aminopyridine; aromatic amine	metabolite	low
trimetazidine	aromatic amine		low
oryzalin	aromatic amine; C-nitro compound; sulfonamide; tertiary amino compound	agrochemical; antimitotic; herbicide	low
2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline	aromatic amine; imidazoquinoxaline	carcinogenic agent; genotoxin; Maillard reaction product; mutagen	low
acridine orange	aminoacridines; aromatic amine; tertiary amino compound	fluorochrome; histological dye	low
nile red	aromatic amine; cyclic ketone; organic heterotetracyclic compound; tertiary amino compound	fluorochrome; histological dye	low
4-(diethylamino)benzaldehyde	aromatic amine; benzaldehydes; tertiary amino compound	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor	low
dibenzthione	aromatic amine		low
8-azaadenine	aromatic amine; nucleobase analogue; triazolopyrimidines	EC 1.17.3.2 (xanthine oxidase) inhibitor; Mycoplasma genitalium metabolite	low
lamtidine	aromatic amine		low
bamipine	aromatic amine		low
methyl 3-aminopyrazine-2-carboxylate	aromatic amine; methyl ester; pyrazines		low
p-Aminosalicylic acid methyl ester	aromatic amine		low
trimetazidine dihydrochloride	aromatic amine		low
phenylisopropyladenosine	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent	low
4-hydroxybenzylamine	aromatic amine		low
pomalidomide	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator	low
hydromethylthionine	aromatic amine; phenothiazines; tertiary amino compound	bacterial xenobiotic metabolite; fluorochrome; mouse metabolite; rat metabolite	low
8-amino-8-demethylriboflavin	aromatic amine; benzopteridine; primary amino compound; tetrol		low
aminopyralid	aromatic amine; organochlorine pesticide; pyridines	herbicide	low
lenalidomide	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator	low
5-aminonicotinic acid	aminonicotinic acid; aminopyridine; aromatic amine	metabolite	low
1-[4-[4-[(4-methylphenyl)methylamino]phenyl]-1-piperazinyl]ethanone	aromatic amine		low
4-[2-[[4-(dimethylamino)phenyl]methylamino]ethyl]-2,2-dimethyl-4-oxanol	aromatic amine		low
1-[4-[4-[(phenylmethyl)amino]phenyl]-1-piperazinyl]ethanone	aromatic amine		low
7-(2-methyl-2,3-dihydroindol-1-yl)-3-(phenylmethyl)triazolo[4,5-d]pyrimidine	aromatic amine; tertiary amino compound		low
1-(4-chlorophenyl)-N-(2-furanylmethyl)-N-[[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]methanamine	aromatic amine		low
N-[(1-cyclohexyl-5-tetrazolyl)-thiophen-2-ylmethyl]-N-(phenylmethyl)ethanamine	aromatic amine		low
5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid	aromatic amine		low
5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine	aromatic amine; thiadiazoles		low
iFSP1	aromatic amine; nitrile; primary amino compound; pyridobenzimidazole; toluenes	antineoplastic agent; ferroptosis inducer; ferroptosis suppressor protein 1 inhibitor	low
N-(3-fluorophenyl)-2-(pyridin-4-yl)quinazolin-4-amine	aromatic amine; monofluorobenzenes; pyridines; quinazolines; secondary amino compound; substituted aniline		low
2-amino-4-(cyanomethyl)-6-(N-methylanilino)pyridine-3,5-dicarbonitrile	aromatic amine; tertiary amino compound		low
5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester	aromatic amine; thiophenes		low
4-[bis(phenylmethyl)amino]-2-(dimethylamino)-3-pyridinecarbonitrile	aromatic amine		low
2-[(3-fluorophenyl)methyl-(phenylmethyl)amino]ethanol	aromatic amine		low
2-methoxy-4-[[2-(methylthio)anilino]methyl]phenol	aromatic amine		low
1-(4-ethylphenyl)-N-(3-pyridinylmethyl)methanamine	aromatic amine		low
N-[(2,3-dimethoxyphenyl)methyl]-4-(4-methyl-1-piperidinyl)aniline	aromatic amine		low
2-amino-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester	aromatic amine; isopropyl ester; tertiary carboxamide; thiophenes		low
4-(2,3-dihydro-1H-indol-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine	aromatic amine; tertiary amino compound		low
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline	aromatic amine		low
4-[methyl-(4-thiophen-2-yl-2-thiazolyl)amino]phenol	aromatic amine; tertiary amino compound		low
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-4-(4-morpholinyl)aniline	aromatic amine		low
4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide	aromatic amine		low
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenol	aromatic amine		low
xl147	aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]ethanone	aromatic amine		low
(3-hydroxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione	aromatic amine		low
N-[4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide	aromatic amine		low
2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide	aromatic amine; tertiary amino compound		low
6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine	aromatic amine		low
2-chloro-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone	aromatic amine		low
N-{3-[(2-phenylquinazolin-4-yl)amino]phenyl}acetamide	acetamide; aromatic amine; quinazolines; secondary amino compound; substituted aniline		low
1-(Benzylamino)-3-(3,4-dimethylphenoxy)propan-2-ol	aromatic amine		low
3-(4-ethyl-1-piperazinyl)-5-methylpyridazino[3,4-b][1,4]benzoxazine	aromatic amine; tertiary amino compound		low
5-amino-3-[[[1-(2-furanylmethyl)-5-oxo-3-pyrrolidinyl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester	aromatic amine; thiophenes		low
1-(1-tert-butyl-5-tetrazolyl)-N-(phenylmethyl)-1-(3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine	aromatic amine		low
3-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-3-(2-chlorophenyl)propanoic acid ethyl ester	1,3,5-triazines; aromatic amine		low
2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinone	aromatic amine; tertiary amino compound		low
N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine	aromatic amine; tertiary amino compound		low
N-(3-{[2-(2-fluorophenyl)quinazolin-4-yl]amino}phenyl)acetamide	acetamide; aromatic amine; monofluorobenzenes; quinazolines; secondary amino compound; substituted aniline		low
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine	aromatic amine; piperidines; pyridines; quinazolines; secondary amino compound; tertiary amino compound		low
5-nitro-2-[(phenylmethyl)amino]benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester	aromatic amine		low
GSK3-XIII	aromatic amine; pyrazoles; quinazolines; secondary amino compound	EC 2.7.11.26 (tau-protein kinase) inhibitor	low
2-(1-adamantyl)-4-chloro-5-[(4-fluorophenyl)methylamino]-3-pyridazinone	aromatic amine		low
1-cyclohexyl-3-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]urea	aromatic amine		low
r 115866	aromatic amine; benzothiazoles; secondary amino compound; triazoles		low
nsc 716970	aromatic amine; aromatic ether; indolecarboxamide; organochlorine compound	antineoplastic agent	low
n-methylbenzylamine hydrochloride	aromatic amine		low
pi103	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
selexipag	aromatic amine; ether; monocarboxylic acid amide; N-sulfonylcarboxamide; pyrazines; tertiary amino compound	orphan drug; platelet aggregation inhibitor; prodrug; prostacyclin receptor agonist; vasodilator agent	low
mre 269	aromatic amine; ether; monocarboxylic acid; pyrazines; sulfonamide; tertiary amino compound	drug metabolite; orphan drug; platelet aggregation inhibitor; prostacyclin receptor agonist; vasodilator agent	low
sch 51344	aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound	antineoplastic agent	low
ageladine a	alkaloid; aromatic amine; imidazopyridine; organobromine compound; pyrroles	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor; metabolite	low
azd2858	aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide	antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	low
4-aminopyridine-3-methanol	aminopyridine; aromatic amine; aromatic primary alcohol	potassium channel blocker	low
8,5'-cyclo-2'-deoxyadenosine	aromatic amine; bridged compound; diol; N-glycosyl compound; organic heterotetracyclic compound	Mycoplasma genitalium metabolite	low
ethaboxam	1,3-thiazoles; aromatic amide; aromatic amine; nitrile; secondary amino compound; thiophenes		low
abt-737	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
abt 869	aromatic amine; indazoles; phenylureas	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
gw9508	aromatic amine		low
idelalisib	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
trametinib	acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector	low
ametoctradin	aromatic amine; triazolopyrimidines	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor	low
vizamyl	(18)F radiopharmaceutical; aromatic amine; benzothiazoles; secondary amino compound	radioactive imaging agent	low
2-[(2-chloro-4-nitroanilino)methyl]-6-methoxyphenol	aromatic amine		low
[(2S,4S)-4-(4-bromophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone	aromatic amine		low
pamapimod	aromatic amine; aromatic ether; difluorobenzene; diol; primary alcohol; pyridopyrimidine; secondary amino compound	antirheumatic drug; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
gdc-0973	aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
gsk690693	1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
3-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-[4-[(4-fluorophenyl)methylamino]-3-nitrophenyl]propanamide	aromatic amine		low
2-[4-[(4-cyclopentyloxyphenyl)methyl]-1-propan-2-yl-2-piperazinyl]ethanol	aromatic amine		low
asp3026	aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone	antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor	low
1-[4-[4-[(3-methylphenyl)methylamino]phenyl]-1-piperazinyl]ethanone	aromatic amine		low
mrt67307	aromatic amine		low
GS-441524	aromatic amine; C-nucleoside; nitrile; pyrrolotriazine	anticoronaviral agent; antiviral agent; drug metabolite	low
lrrk2-in1	aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
gilteritinib	aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
ML240	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent	low
xl765	aromatic amine; aromatic ether; benzamides; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
GS-443902	aromatic amine; C-nucleoside; nitrile; organic triphosphate; pyrrolotriazine	anticoronaviral agent; antiviral drug; drug metabolite	low
acp-196	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
ly3009120	aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor	low
enasidenib	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	low
s 8932	aromatic amine; C-nucleoside; carboxylic ester; nitrile; phosphoramidate ester; pyrrolotriazine	anticoronaviral agent; antiviral drug; prodrug	low
can 508	aromatic amine; monoazo compound; phenols; pyrazoles	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
tirapazamine	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer	low
8,5'-cyclo-2'-deoxyguanosine	aromatic amine; bridged compound; diol; N-glycosyl compound; organic heterotetracyclic compound	Mycoplasma genitalium metabolite	low

Substance	Classes	Roles	Relationship Strength
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector	low
triciribine	nucleoside analogue	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
perifosine	ammonium betaine; phospholipid	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
wortmannin	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent	low
xl147	aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
as 605240	quinoxaline derivative; thiazolidinediones	anti-inflammatory agent; antirheumatic drug; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
px-866	acetate ester; delta-lactone; organic heterotetracyclic compound; tertiary amino compound	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
pi103	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
ic 87114	6-aminopurines; biaryl; quinazolines	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
idelalisib	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
liphagal	aldehyde; cyclic ether; meroterpenoid; organic heterotetracyclic compound; polyphenol	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; metabolite	low
zstk474	benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
dactolisib	imidazoquinoline; nitrile; quinolines; ring assembly; ureas	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
bgt226	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
buparlisib	aminopyridine; aminopyrimidine; morpholines; organofluorine compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
gdc 0941	indazoles; morpholines; piperazines; sulfonamide; thienopyrimidine	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
mk 2206	organic heterotricyclic compound	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
gsk 2126458	aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide	anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent	low
xl765	aromatic amine; aromatic ether; benzamides; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
GSK1059615	pyridines; quinolines; thiazolidinone	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
cgp 52411	phthalimides	geroprotector; tyrosine kinase inhibitor	low
emodin	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor	low
hydroxy-2-naphthalenyl-methyl phosphonic acid trisacetoxymethylester	acetate ester; naphthalenes; organic phosphonate	tyrosine kinase inhibitor	low
leflunomide	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor	low
1-NA-PP1	pyrazolopyrimidine	tyrosine kinase inhibitor	low
imatinib	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor	low
picropodophyllin	furonaphthodioxole; lignan; organic heterotetracyclic compound	antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor	low
imatinib mesylate	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor	low
canertinib	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	low
lapatinib	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	low
sorafenib	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor	low
pd 173955	aryl sulfide; dichlorobenzene; methyl sulfide; pyridopyrimidine	tyrosine kinase inhibitor	low
s 1033	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	low
3,3',4,5'-tetrahydroxystilbene	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor	low
dasatinib	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	low
zd 6474	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor	low
1-tert-butyl-3-naphthalen-1-ylmethyl-1h-pyrazolo(3,4-d)pyrimidin-4-ylemine	pyrazolopyrimidine	tyrosine kinase inhibitor	low
biochanin a	4'-methoxyisoflavones; 7-hydroxyisoflavones	antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor	low
genistein	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor	low
butein	chalcones; polyphenol	antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor	low
herbimycin	1,4-benzoquinones; lactam; macrocycle	antimicrobial agent; apoptosis inducer; herbicide; Hsp90 inhibitor; tyrosine kinase inhibitor	low
bosutinib	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	low
monorden	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor	low
axitinib	aryl sulfide; benzamides; indazoles; pyridines	antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist	low
hki 272	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor	low
masitinib	1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines	antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor	low
pazopanib	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist	low
bibw 2992	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	low
regorafenib	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor	low
ponatinib	(trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine	antineoplastic agent; tyrosine kinase inhibitor	low
dcc-2036	organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines	tyrosine kinase inhibitor	low
cabozantinib	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor	low
thiopental sodium	organochlorine compound; piperazines; pyrimidines	antineoplastic agent; tyrosine kinase inhibitor	low
teriflunomide	(trifluoromethyl)benzenes; aromatic amide; enamide; enol; nitrile; secondary carboxamide	drug metabolite; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; hepatotoxic agent; non-steroidal anti-inflammatory drug; tyrosine kinase inhibitor	low
protocatechuic acid	catechols; dihydroxybenzoic acid	antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite	low
aminolevulinic acid	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite	low
gallic acid	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite	low
perillic acid	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid	antineoplastic agent; human metabolite; mouse metabolite	low
pk 11195	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent	low
pd 173074	aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist	low
aminopropionitrile	aminopropionitrile	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite	low
5-(n,n-hexamethylene)amiloride	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker	low
7,8-dihydroxyflavone	dihydroxyflavone	antidepressant; antineoplastic agent; antioxidant; plant metabolite; tropomyosin-related kinase B receptor agonist	low
ro 48-8071	aromatic ether; aromatic ketone; bromobenzenes; monofluorobenzenes; olefinic compound; tertiary amino compound	antineoplastic agent; EC 5.4.99.7 (lanosterol synthase) inhibitor	low
rtki cpd	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector	low
alfuzosin	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent	low
am 251	amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles	antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist	low
am 580	amidobenzoic acid; tetralins	antineoplastic agent; retinoic acid receptor alpha/beta agonist	low
aminoglutethimide	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor	low
amsacrine	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
anastrozole	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor	low
azathioprine	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug	low
azelaic acid	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite	low
berberine	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker	low
buformin	biguanides	antineoplastic agent; antiviral agent; geroprotector; hypoglycemic agent; radiosensitizing agent	low
busulfan	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent	low
camostat	benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor	low
carmustine	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent	low
cgs 15943	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant	low
chelerythrine	benzophenanthridine alkaloid; organic cation	antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor	low
chlorambucil	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent	low
ci 994	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	low
ciglitazone	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug	low
cl 387785	bromobenzenes; quinazolines; secondary carboxamide; ynamide	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist	low
clioquinol	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator	low
clofibric acid	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist	low
dacarbazine	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; carcinogenic agent; prodrug	low
dequalinium	quinolinium ion	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor	low
3,3'-diindolylmethane	indoles	antineoplastic agent; P450 inhibitor	low
disulfiram	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor	low
doxazosin	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent	low
ebselen	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger	low
ellipticine	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite	low
embelin	dihydroxy-1,4-benzoquinones	antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite	low
etanidazole	C-nitro compound; imidazoles; monocarboxylic acid amide	alkylating agent; antineoplastic agent; prodrug; radiosensitizing agent	low
etidronate	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator	low
fluorouracil	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic	low
flutamide	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent	low
miltefosine	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor	low
beta-thujaplicin	cyclic ketone; enol; monoterpenoid	antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite	low
hydroxyurea	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent	low
ifosfamide	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic	low
indole-3-carbinol	indolyl alcohol	antineoplastic agent; plant metabolite	low
beta-lapachone	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite	low
letrozole	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor	low
lomustine	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent	low
6-anilino-5,8-quinolinedione	aminoquinoline; aromatic amine; p-quinones; quinolone	antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor	low
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide	benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
meclofenamic acid	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug	low
vitamin k 3	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical	low
methoxsalen	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite	low
nocodazole	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator	low
midazolam	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative	low
mitoxantrone	dihydroxyanthraquinone	analgesic; antineoplastic agent	low
entinostat	benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
n(1), n(12)-diethylspermine	polyazaalkane; secondary amino compound; substituted spermine; tetramine	antineoplastic agent	low
nilutamide	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent	low
nortriptyline	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite	low
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide	aromatic ether; C-nitro compound; sulfonamide	antineoplastic agent; cyclooxygenase 2 inhibitor	low
oxyphenbutazone	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite	low
pd 158780	aromatic amine; bromobenzenes; diamine; pyridopyrimidine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
4-phenylbutyric acid	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug	low
oxophenylarsine	arsine oxides	antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor	low
phloretin	dihydrochalcones	antineoplastic agent; plant metabolite	low
pipobroman	N-acylpiperazine; organobromine compound; tertiary carboxamide	alkylating agent; antineoplastic agent	low
pj-34	phenanthridines; secondary carboxamide; tertiary amino compound	angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent	low
procarbazine	benzamides; hydrazines	antineoplastic agent	low
salicylsalicylic acid	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	low
semustine	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent	low
streptonigrin	pyridines; quinolone	antimicrobial agent; antineoplastic agent	low
SU6656	oxindoles; sulfonamide	antineoplastic agent; Aurora kinase inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
vorinostat	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
sulforaphane	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite	low
suramin	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug	low
temozolomide	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug	low
terazosin	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent	low
2,2'-thiodiethanol	aliphatic sulfide; diol	antineoplastic agent; antioxidant; metabolite; solvent	low
tilorone	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist	low
troglitazone	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent	low
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent	low
mitomycin	mitomycin	alkylating agent; antineoplastic agent	low
prednisolone	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic	low
floxuridine	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent	low
prednisone	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug	low
estrone	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite	low
azauridine	N-glycosyl-1,2,4-triazine	antimetabolite; antineoplastic agent; drug metabolite	low
mechlorethamine hydrochloride	hydrochloride	antineoplastic agent	low
allyl isothiocyanate	alkenyl isothiocyanate; isothiocyanate	antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite	low
vincristine	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	low
methyltestosterone	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent	low
dromostanolone	17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid	anabolic agent; antineoplastic agent	low
bromodeoxyuridine	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent	low
tributyrin	butyrate ester; triglyceride	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug; protective agent	low
ethyl methanesulfonate	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent	low
triaziquone	1,4-benzoquinones; aziridines	alkylating agent; antineoplastic agent	low
tubercidin	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside	antimetabolite; antineoplastic agent; bacterial metabolite	low
cytarabine	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent	low
trifluridine	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor	low
medroxyprogesterone acetate	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive	low
fluoxymesterone	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid	anabolic agent; antineoplastic agent	low
rotenone	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin	low
acetopyrrothine	acetamides; dithiolopyrrolone antibiotic	angiogenesis inhibitor; antibacterial agent; antifungal agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite; protein synthesis inhibitor; toxin	low
phenformin	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent	low
dibenzoylmethane	aromatic ketone; beta-diketone	antimutagen; antineoplastic agent; metabolite	low
suramin sodium	organic sodium salt	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug	low
pyrazolanthrone	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector	low
diazooxonorleucine	amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid	analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist	low
azacitidine	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent	low
diazomethane	diazo compound	alkylating agent; antineoplastic agent; carcinogenic agent; poison	low
procarbazine hydrochloride	hydrochloride	antineoplastic agent	low
naphthazarin	hydroxy-1,4-naphthoquinone	acaricide; antibacterial agent; antineoplastic agent; apoptosis inducer; geroprotector; plant metabolite	low
liriodenine	alkaloid antibiotic; cyclic ketone; organic heteropentacyclic compound; oxacycle; oxoaporphine alkaloid	antifungal agent; antimicrobial agent; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite	low
lucanthone	thioxanthenes	adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug	low
plumbagin	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite	low
aloe emodin	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite	low
emetine	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor	low
thymoquinone	1,4-benzoquinones	adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite	low
podophyllotoxin	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	low
physcione	dihydroxyanthraquinone	anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite	low
dequalinium chloride	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor	low
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol	terpineol; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component	low
formestane	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor	low
chlorotrianisene	chloroalkene	antineoplastic agent; estrogen receptor modulator; xenoestrogen	low
megestrol acetate	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive	low
toyocamycin	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside	antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite	low
2-hydroxyacetanilide	acetamides; phenols	anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite	low
methoxyacetic acid	ether; monocarboxylic acid	antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen	low
hadacidin	aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid	antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent	low
2-fluoroadenine	organofluorine compound; purines	antineoplastic agent	low
tetramethylpyrazine	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent	low
guanazole	aromatic amine; triazoles	antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor	low
diallyl trisulfide	organic trisulfide	anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent	low
diallyl disulfide	organic disulfide	antifungal agent; antineoplastic agent; plant metabolite	low
phenethyl isothiocyanate	isothiocyanate	antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite	low
glaucine	aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound	antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite	low
acadesine	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor	low
doxifluridine	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug	low
megestrol	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive	low
mitomycin a	ether; mitomycin	alkylating agent; antimicrobial agent; antineoplastic agent; toxin	low
cladribine	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent	low
tabersonine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antineoplastic agent; metabolite	low
vidarabine	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic	low
cyclophosphamide	hydrate	alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent	low
helenalin	cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite	low
etidronate disodium	organic sodium salt	antineoplastic agent; bone density conservation agent; chelator	low
camptothecin	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite	low
isopentenyladenosine	N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue	antineoplastic agent; plant growth regulator; plant metabolite	low
nsc-145,668	hydrochloride	antimetabolite; antineoplastic agent	low
ancitabine	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug	low
clodronic acid	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent	low
tetradecanoylphorbol acetate	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator	low
streptozocin	N-acylglucosamine; N-nitrosoureas	antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite	low
daunorubicin	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite	low
fludarabine phosphate	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug	low
2,6-diaminopurine	2,6-diaminopurines; primary amino compound	antineoplastic agent	low
silybin	aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite	low
glucaric acid	glucaric acid	antineoplastic agent	low
paclitaxel	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent	low
etoposide	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor	low
promegestone	20-oxo steroid; 3-oxo-Delta(4) steroid	antineoplastic agent; progesterone receptor agonist; progestin	low
perfosfamide	nitrogen mustard; organochlorine compound; peroxol; phosphorodiamide	alkylating agent; antineoplastic agent; drug allergen; immunosuppressive agent; metabolite	low
nimustine	aminopyrimidine; N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent	low
lonidamine	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector	low
vindesine	methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; primary carboxamide; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent	low
epirubicin	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
diaziquone	1,4-benzoquinones; aziridines; carbamate ester; enamine	alkylating agent; antineoplastic agent	low
midazolam hydrochloride	hydrochloride; imidazobenzodiazepine	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative	low
oltipraz	1,2-dithiole; pyrazines	angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug	low
fazarabine	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent	low
mitoxantrone hydrochloride	hydrochloride	antineoplastic agent	low
bisantrene	anthracenes; hydrazone; imidazolidines	antineoplastic agent	low
swainsonine	indolizidine alkaloid	antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite	low
lovastatin	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug	low
cabergoline	N-acylurea	antineoplastic agent; antiparkinson drug; dopamine agonist	low
nitrogenase stabilizing-protective protein, bacteria	N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide	androgen antagonist; antineoplastic agent	low
bmy 25067	C-nitro compound; organic disulfide	antineoplastic agent	low
brequinar	biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor	low
imiquimod	imidazoquinoline	antineoplastic agent; interferon inducer	low
aromasil	17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic	low
cidofovir anhydrous	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent	low
topotecan	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor	low
gemcitabine hydrochloride	hydrochloride; organofluorine compound	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent	low
gemcitabine	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic	low
irinotecan	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	low
capecitabine	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug	low
nelfinavir mesylate	methanesulfonate salt	antineoplastic agent; HIV protease inhibitor	low
nelfinavir	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor	low
betulinic acid	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite	low
baicalin	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug	low
ro 5-3335	1,4-benzodiazepinone; organochlorine compound; pyrroles	anti-HIV-1 agent; antineoplastic agent; HIV-1 Tat inhibitor; RUNX1 inhibitor	low
plerixafor	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant	low
epigallocatechin gallate	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite	low
salvin	abietane diterpenoid; carbotricyclic compound; catechols; monocarboxylic acid	angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; food preservative; HIV protease inhibitor; plant metabolite	low
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose	gallate ester; galloyl beta-D-glucose	anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger	low
pyrrolidine dithiocarbamate	dithiocarbamic acids; pyrrolidines	anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger	low
triptonide	butenolide; cyclic ketone; diterpene triepoxide; organic heteroheptacyclic compound	anti-inflammatory agent; antineoplastic agent; immunosuppressive agent	low
3'-deoxyadenosine 5'-triphosphate	purine ribonucleoside 5'-triphosphate	antifungal agent; antimetabolite; antineoplastic agent; antiviral agent	low
2-methoxyestradiol	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite	low
toxoflavin	carbonyl compound; pyrimidotriazine	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor	low
lupulon	beta-bitter acid	angiogenesis inhibitor; antimicrobial agent; antineoplastic agent; apoptosis inducer	low
pinocembrin	(2S)-flavan-4-one; dihydroxyflavanone	antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent	low
tangeretin	pentamethoxyflavone	antineoplastic agent; plant metabolite	low
ethinylestradiol-3-sulfate	17beta-hydroxy steroid; steroid sulfate	antineoplastic agent; estrogen	low
lonazolac	monocarboxylic acid; monochlorobenzenes; pyrazoles	antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
bromopyruvate	2-oxo monocarboxylic acid; organobromine compound; oxo carboxylic acid	alkylating agent; antineoplastic agent	low
enrofloxacin	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent	low
dexrazoxane	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent	low
masoprocol	nordihydroguaiaretic acid	antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite	low
dw a 2114r	platinum coordination entity; pyrrolidines	antineoplastic agent	low
prednisolone phosphate	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; glucocorticoid; steroid phosphate; tertiary alpha-hydroxy ketone	anti-inflammatory agent; antineoplastic agent; glucocorticoid receptor agonist; prodrug	low
hesperetin	3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antineoplastic agent; antioxidant; plant metabolite	low
sesamin	benzodioxoles; furofuran; lignan	antineoplastic agent; neuroprotective agent; plant metabolite	low
betulin	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite	low
nobiletin	methoxyflavone	antineoplastic agent; plant metabolite	low
alantolactone	naphthofuran; olefinic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; plant metabolite	low
kaurenoic acid	ent-kaurane diterpenoid	anti-HIV-1 agent; antineoplastic agent; plant metabolite	low
dehydrocostus lactone	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; sesquiterpene lactone	antimycobacterial drug; antineoplastic agent; apoptosis inducer; cyclooxygenase 2 inhibitor; metabolite; trypanocidal drug	low
xanthomicrol	dihydroxyflavone; trimethoxyflavone	antineoplastic agent; plant metabolite	low
voacamine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; plant metabolite	low
brazilin	catechols; organic heterotetracyclic compound; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; apoptosis inducer; biological pigment; hepatoprotective agent; histological dye; NF-kappaB inhibitor; plant metabolite	low
uvaretin	aromatic ether; dihydrochalcones; polyketide; resorcinol	antineoplastic agent; plant metabolite	low
fangchinoline	aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle	anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite	low
maslinic acid	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite	low
tetrazolium violet	organic chloride salt	antineoplastic agent; apoptosis inducer; dye	low
irinotecan hydrochloride	hydrochloride	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	low
5-(3-methyl-1-triazeno)imidazole-4-carboxamide	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent	low
hydroxyguanidine	guanidines; one-carbon compound	antineoplastic agent; antiviral agent	low
cryptolepine	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound	anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite	low
bexarotene	benzoic acids; naphthalenes; retinoid	antineoplastic agent	low
3,4-dihydroxyphenylethanol	catechols; primary alcohol	antineoplastic agent; antioxidant; metabolite	low
terreic acid	arene epoxide; diketone; monohydroxy-1,4-benzoquinones; tertiary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; Aspergillus metabolite; EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; mycotoxin	low
4-methylumbelliferyl glucuronide	beta-D-glucosiduronic acid; coumarins; monosaccharide derivative	antineoplastic agent; chromogenic compound; hyaluronan synthesis inhibitor	low
9-hydroxyellipticine	organic heterotetracyclic compound; organonitrogen heterocyclic compound	antineoplastic agent	low
nimustine	hydrochloride	antineoplastic agent	low
beta-peltatin	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; plant metabolite	low
alpha-peltatin	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; metabolite	low
cryptopleurine	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	antineoplastic agent; antiviral agent; protein synthesis inhibitor	low
sugiol	abietane diterpenoid; carbotricyclic compound; cyclic terpene ketone; meroterpenoid; phenols	antineoplastic agent; antioxidant; antiviral agent; plant metabolite; radical scavenger	low
eupatorin	dihydroxyflavone; polyphenol; trimethoxyflavone	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; Brassica napus metabolite; calcium channel blocker; P450 inhibitor; vasodilator agent	low
1-methyltryptophan	non-proteinogenic alpha-amino acid; tryptophan derivative	antineoplastic agent; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor	low
atromentin	dihydroxy-1,4-benzoquinones; polyphenol	antibacterial agent; anticoagulant; antineoplastic agent; apoptosis inducer; biological pigment; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; fungal metabolite	low
diosgenin	3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal	antineoplastic agent; antiviral agent; apoptosis inducer; metabolite	low
alpha-glutamyltryptophan	dipeptide	angiogenesis modulating agent; antineoplastic agent; immunomodulator; metabolite	low
fulvestrant	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist	low
ici 164384	17beta-hydroxy steroid; 3-hydroxy steroid; tertiary carboxamide	anti-estrogen; antineoplastic agent; estrogen receptor antagonist	low
sn 38	delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol	antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor	low
hc toxin	homodetic cyclic peptide; tetrapeptide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; metabolite; phytotoxin	low
deguelin	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite	low
fingolimod	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist	low
cafestol	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite	low
tamibarotene	dicarboxylic acid monoamide; retinoid; tetralins	antineoplastic agent; retinoic acid receptor alpha/beta agonist	low
ecteinascidin 743	acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound	alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite	low
homoorientin	flavone C-glycoside; tetrahydroxyflavone	antineoplastic agent; radical scavenger	low
kahweol	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite	low
selenomethylselenocysteine	non-proteinogenic alpha-amino acid; selenocysteines	antineoplastic agent; human metabolite	low
tephrosin	aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; pesticide	low
5-(tetradecyloxy)-2-furancarboxylic acid	aromatic ether; furoic acid	antineoplastic agent; apoptosis inducer; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; PPARalpha agonist	low
sc 58125	organofluorine compound; pyrazoles; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor	low
marimastat	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor	low
1'-acetoxychavicol acetate	acetate ester; phenylpropanoid	antineoplastic agent; NF-kappaB inhibitor; plant metabolite	low
clofarabine	adenosines; organofluorine compound	antimetabolite; antineoplastic agent	low
dioscin	hexacyclic triterpenoid; spiroketal; spirostanyl glycoside; trisaccharide derivative	anti-inflammatory agent; antifungal agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 1.14.18.1 (tyrosinase) inhibitor; hepatoprotective agent; metabolite	low
ginsenoside rh2	12beta-hydroxy steroid; 20-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; bone density conservation agent; cardioprotective agent; hepatoprotective agent; plant metabolite	low
trapoxin a	epoxide; homodetic cyclic peptide; ketone	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; fungal metabolite	low
celastrol	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite	low
4'-demethylepipodophyllotoxin	furonaphthodioxole; organic heterotetracyclic compound; phenols	antineoplastic agent	low
aminolevulinic acid hydrochloride	hydrochloride	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug	low
gefitinib	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	low
cgp 42112a	benzyl ester; oligopeptide; pyridinecarboxamide	angiotensin receptor agonist; anti-inflammatory agent; antineoplastic agent; neuroprotective agent; vasodilator agent	low
vadimezan	monocarboxylic acid; xanthones	antineoplastic agent	low
rubimaillin	benzochromene; methyl ester; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite	low
4-carbamoylimidazolium 5-olate	hydroxyimidazole; monocarboxylic acid amide	antineoplastic agent	low
nsc 224070	1,4-benzoquinones; aziridines; enamine; primary alcohol; secondary amino compound	alkylating agent; antineoplastic agent	low
psorospermin	epoxide; organic heterotetracyclic compound; xanthones	antineoplastic agent; plant metabolite	low
ay 25545	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite	low
methotrexate	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent	low
3,7-dihydroxytropolone	alpha-hydroxy ketone; cyclic ketone; enol; triol	antineoplastic agent; bacterial metabolite	low
delphinidin	5-hydroxyanthocyanidin	antineoplastic agent; biological pigment; plant metabolite	low
tamsulosin	5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide	alpha-adrenergic antagonist; antineoplastic agent	low
saintopin	tetracenequinones	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; fungal metabolite; intercalator	low
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene	monoterpenoid; organobromine compound; organochlorine compound	algal metabolite; antineoplastic agent; marine metabolite	low
ilomastat	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent	low
abiraterone	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor	low
yakuchinone-a	ketone; monomethoxybenzene; phenols	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	low
pomalidomide	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator	low
tempol	aminoxyls; hydroxypiperidine	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; catalyst; hepatoprotective agent; nephroprotective agent; neuroprotective agent; radical scavenger	low
selenomethylselenocysteine	amino acid zwitterion; L-selenocysteine derivative; non-proteinogenic L-alpha-amino acid; Se-methylselenocysteine	antineoplastic agent	low
10-propargyl-10-deazaaminopterin	N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor	low
docetaxel	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent	low
docetaxel anhydrous	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent	low
lonafarnib	4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor	low
aclacinomycin	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite	low
6-azauridine-5'-monophosphate	N-glycosyl-1,2,4-triazine; nucleoside monophosphate analogue	antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor	low
ptk 787	succinate salt	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	low
vatalanib	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	low
cyc 682	nitrile; nucleoside analogue; secondary carboxamide	antimetabolite; antineoplastic agent; DNA synthesis inhibitor; prodrug	low
methyl 5-aminolevulinate hydrochloride	hydrochloride	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug	low
methyl 5-aminolevulinate	delta-amino acid ester	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug	low
tipifarnib	imidazoles; monochlorobenzenes; primary amino compound; quinolone	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor	low
aklavinone	anthracycline; methyl ester; tertiary alcohol; tetracenequinones	antineoplastic agent	low
actinodaphine	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor	low
i-677	L-serine derivative; non-proteinogenic L-alpha-amino acid	antimetabolite; antimicrobial agent; antineoplastic agent; metabolite	low
anonaine	aporphine alkaloid; organic heteropentacyclic compound; oxacycle	antineoplastic agent; antiplasmodial drug; trypanocidal drug	low
4'-demethyldesoxypodophyllotoxin	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols	antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite	low
salvigenin	monohydroxyflavone; trimethoxyflavone	antilipemic drug; antineoplastic agent; apoptosis inhibitor; autophagy inducer; hypoglycemic agent; immunomodulator; neuroprotective agent; plant metabolite	low
deferrioxamine e	cyclic desferrioxamine; cyclic hydroxamic acid; macrocycle	antineoplastic agent; bacterial metabolite; marine metabolite; siderophore	low
ampelopsin	dihydromyricetin; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; metabolite	low
methylselenic acid	one-carbon compound; organoselenium compound	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; human xenobiotic metabolite	low
acetyl aleuritolic acid	acetate ester; monocarboxylic acid; pentacyclic triterpenoid	antineoplastic agent; plant metabolite	low
withanolide d	20-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; tertiary alcohol; withanolide	antineoplastic agent	low
myricanone	aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols	antineoplastic agent; plant metabolite	low
cirsilineol	dihydroxyflavone; trimethoxyflavone	antineoplastic agent; plant metabolite	low
pannarin	aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols	antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite	low
6-methylthiohexyl isothiocyanate	isothiocyanate; methyl sulfide	antineoplastic agent; Arabidopsis thaliana metabolite; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; neuroprotective agent	low
pectolinarin	dimethoxyflavone; disaccharide derivative; glycosyloxyflavone; monohydroxyflavanone; rutinoside	anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite	low
albicanol	carbobicyclic compound; homoallylic alcohol; primary alcohol; sesquiterpenoid	antifeedant; antifungal agent; antineoplastic agent; fungal metabolite; mammalian metabolite; marine metabolite; plant metabolite	low
5-o-methylembelin	enol ether; monohydroxy-1,4-benzoquinones	antileishmanial agent; antineoplastic agent; hepatitis C protease inhibitor; metabolite	low
asperphenamate	benzamides; carboxylic ester; L-phenylalanine derivative	antineoplastic agent	low
erlotinib	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor	low
erlotinib hydrochloride	hydrochloride; terminal acetylenic compound	antineoplastic agent; protein kinase inhibitor	low
corynoline	benzophenanthridine alkaloid; cyclic acetal; isoquinolines; organic heterohexacyclic compound; secondary alcohol	antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hepatoprotective agent; metabolite	low
helioxanthin	benzodioxoles; furonaphthodioxole; lignan	anti-HBV agent; antineoplastic agent; plant metabolite	low
top 53	furonaphthodioxole; gamma-lactone; organic heterotetracyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
5-heptadecylresorcinol	5-alkylresorcinol	antineoplastic agent; plant metabolite	low
minquartynoic acid	acetylenic fatty acid; hydroxy polyunsaturated fatty acid; long-chain fatty acid; straight-chain fatty acid; tetrayne	antimalarial; antineoplastic agent; antiviral agent	low
scutellarin	glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antineoplastic agent; proteasome inhibitor	low
ergolide	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; NF-kappaB inhibitor; plant metabolite	low
2,5-dihydroxybenzyl alcohol	aromatic primary alcohol; phenols	antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite	low
chrysosplenol c	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; antiviral agent; plant metabolite	low
lanperisone	2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one	antineoplastic agent; calcium channel blocker; ferroptosis inducer; muscle relaxant; voltage-gated sodium channel blocker	low
(-)-gallocatechin gallate	catechin; gallate ester; polyphenol	antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human xenobiotic metabolite; plant metabolite	low
orantinib	monocarboxylic acid; oxindoles; pyrroles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	low
firocoxib	butenolide; cyclopropanes; enol ether; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
2-(4-morpholinoanilino)-6-cyclohexylaminopurine	morpholines; purines; secondary amino compound; tertiary amino compound	adenosine A3 receptor antagonist; antineoplastic agent; Aurora kinase inhibitor; cell dedifferentiation agent	low
lenalidomide	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator	low
lasofoxifene	aromatic ether; N-alkylpyrrolidine; naphthols; tetralins	antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist	low
l 778,123	hydrochloride	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor; radiosensitizing agent	low
l 778,123	imidazoles; monochlorobenzenes; nitrile; piperazinone; tertiary amino compound	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor	low
n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide	chloroindole; organochlorine compound; sulfonamide	antineoplastic agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor	low
diflomotecan	epsilon-lactone; organic heteropentacyclic compound; organofluorine compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor	low
demecolcine	alkaloid; secondary amino compound	antineoplastic agent; microtubule-destabilising agent	low
dromostanolone propionate	3-oxo-5alpha-steroid; steroid ester	antineoplastic agent	low
vincaleukoblastine	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite	low
vincristine sulfate	organic sulfate salt	antineoplastic agent; geroprotector	low
anisomycin	monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic	anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor	low
estramustine	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent	low
withaferin a	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	antineoplastic agent; apoptosis inducer	low
noscapine	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite	low
homoharringtonine	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor	low
acivicin	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite	low
elesclomol	carbohydrazide; thiocarbonyl compound	antineoplastic agent; apoptosis inducer	low
rocaglamide	monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound	antileishmanial agent; antineoplastic agent; metabolite	low
anthricin	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes	antineoplastic agent; apoptosis inducer; plant metabolite	low
acronine	acridone derivatives; alkaloid	antineoplastic agent; metabolite	low
taiwanin c	benzodioxoles; furonaphthodioxole; lignan	antineoplastic agent; plant metabolite; platelet aggregation inhibitor	low
o-(chloroacetylcarbamoyl)fumagillol	carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide	angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist	low
bortezomib	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor	low
gant 61	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor	low
carnosine	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent	low
puromycin	puromycins	antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor	low
pentostatin	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor	low
canaline	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite	low
hippeastrine	delta-lactone; indole alkaloid; organic heteropentacyclic compound; secondary alcohol	antineoplastic agent; metabolite	low
peonidin	5-hydroxyanthocyanidin	antineoplastic agent; antioxidant; apoptosis inducer; metabolite	low
glaucarubinone	carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol	antimalarial; antineoplastic agent; geroprotector; plant metabolite	low
helveticoside	14beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid aldehyde; steroid lactone	antineoplastic agent; apoptosis inducer; plant metabolite	low
ginsenoside re	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; nephroprotective agent; neuroprotective agent; plant metabolite	low
ginsenoside rf	12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; plant metabolite	low
ferruginol	abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols	antibacterial agent; antineoplastic agent; plant metabolite; protective agent	low
stevioside	beta-D-glucoside; bridged compound; diterpene glycoside; ent-kaurane diterpenoid; tetracyclic diterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; hypoglycemic agent; plant metabolite; sweetening agent	low
decursinol	cyclic ether; delta-lactone; organic heterotricyclic compound; secondary alcohol	analgesic; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite	low
naringin	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite	low
eugeniin	beta-D-glucoside; ellagitannin; gallate ester; lactone	anti-HSV-1 agent; antifungal agent; antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite	low
knipholone	aromatic ketone; dihydroxyanthraquinone; methoxybenzenes; methyl ketone; polyphenol; resorcinols	antineoplastic agent; antioxidant; antiplasmodial drug; leukotriene antagonist; metabolite	low
gingerol	beta-hydroxy ketone; guaiacols	antineoplastic agent; plant metabolite	low
mucronulatol	hydroxyisoflavans; methoxyisoflavan	antineoplastic agent; plant metabolite	low
syringaresinol	syringaresinol	antineoplastic agent	low
enkephalin, methionine	pentapeptide; peptide zwitterion	analgesic; antineoplastic agent; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist	low
devazepide	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug	low
sodium arsenite	arsenic molecular entity; inorganic sodium salt	antibacterial agent; antifungal agent; antineoplastic agent; carcinogenic agent; herbicide; insecticide; rodenticide	low
surfactin c	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; platelet aggregation inhibitor; surfactant	low
kerriamycin b	angucycline antibiotic	antineoplastic agent	low
carubicin	aminoglycoside antibiotic; anthracycline antibiotic; p-quinones; tertiary alpha-hydroxy ketone; tetracenequinones	antineoplastic agent; apoptosis inducer	low
tretinoin	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule	low
docosahexaenoate	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical	low
eicosapentaenoic acid	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical	low
mycophenolic acid	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic	low
formycin	formycin	antineoplastic agent	low
neocarzinostatin chromophore	cyclopentacyclononaoxirene; D-galactosaminide; dioxolane; monosaccharide derivative; naphthoate ester	antineoplastic agent	low
epothilone b	epothilone; epoxide	antineoplastic agent; apoptosis inducer; microtubule-stabilising agent	low
adenosine-5'-(n-ethylcarboxamide)	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent	low
n(1)-guanyl-1,7-diaminoheptane	guanidines; primary amino compound	antineoplastic agent; EC 2.5.1.46 (deoxyhypusine synthase) inhibitor	low
diethylstilbestrol	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen	low
bms 214662	benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor	low
epothilone a	epothilone; epoxide	antineoplastic agent; metabolite; microtubule-stabilising agent; tubulin modulator	low
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine	6-aminopurines; acetylenic compound; methoxybenzenes; monochlorobenzenes; organofluorine compound	antineoplastic agent; Hsp90 inhibitor	low
alitretinoin	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist	low
afimoxifene	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite	low
aclarubicin	aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion	antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
teniposide	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
steviol	bridged compound; ent-kaurane diterpenoid; monocarboxylic acid; tertiary allylic alcohol; tetracyclic diterpenoid	antineoplastic agent	low
tiazofurin	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug	low
aphidicolin	tetracyclic diterpenoid	antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite	low
azaserine	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite	low
melphalan	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent	low
prinomastat	aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor	low
rubitecan	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	low
arsenic trioxide	arsenic oxide	antineoplastic agent; insecticide	low
rhapontin	rhaponticin	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 2.3.1.85 (fatty acid synthase) inhibitor; hypoglycemic agent; neuroprotective agent; plant metabolite	low
isoliquiritigenin	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist	low
antofine	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite	low
xanthohumol	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite	low
vedelianin	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; plant metabolite	low
amygdalin	amygdalin	antineoplastic agent; apoptosis inducer; plant metabolite	low
trilostane	17beta-hydroxy steroid; 3-hydroxy steroid; androstanoid; epoxy steroid; nitrile	abortifacient; antineoplastic agent; EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor	low
leuprolide acetate	acetate salt	antineoplastic agent; gonadotropin releasing hormone agonist	low
leuprolide	oligopeptide	anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist	low
mercaptopurine	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent	low
iFSP1	aromatic amine; nitrile; primary amino compound; pyridobenzimidazole; toluenes	antineoplastic agent; ferroptosis inducer; ferroptosis suppressor protein 1 inhibitor	low
4-iodo-6-phenylpyrimidine	biaryl; organoiodine compound; pyrimidines	antineoplastic agent; apoptosis inducer; macrophage migration inhibitory factor inhibitor	low
oncrasin-1	arenecarbaldehyde; indoles; monochlorobenzenes	antineoplastic agent; apoptosis inducer	low
curcumin	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger	low
cct018159	benzodioxine; pyrazoles; resorcinols	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor	low
sulindac	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent	low
aurapten	coumarins; monoterpenoid	antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; dopaminergic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; gamma-secretase modulator; gastrointestinal drug; hepatoprotective agent; matrix metalloproteinase inhibitor; neuroprotective agent; plant metabolite; PPARalpha agonist; vulnerary	low
mcb-613	cyclic ketone; enone; pyridines	antineoplastic agent; steroid receptor coactivator stimulator	low
thioguanine anhydrous	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent	low
tamoxifen	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator	low
stattic	1-benzothiophenes; C-nitro compound; sulfone	antineoplastic agent; radiosensitizing agent; STAT3 inhibitor	low
krn 7000	glycophytoceramide; N-acyl-beta-D-galactosylphytosphingosine	allergen; antigen; antineoplastic agent; epitope; immunological adjuvant	low
10058-F4	olefinic compound; thiazolidinone	antineoplastic agent; apoptosis inducer	low
monastrol	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor	low
toremifene	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator	low
u 0126	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent	low
beauvericin	cyclodepsipeptide	antibiotic insecticide; antifungal agent; antineoplastic agent; apoptosis inhibitor; fungal metabolite; ionophore; mycotoxin; P450 inhibitor	low
nelarabine	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug	low
bms 387032	1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
manool	labdane diterpenoid; tertiary alcohol	antibacterial agent; antineoplastic agent; plant metabolite	low
amrubicin	anthracycline antibiotic; methyl ketone; primary amino compound; quinone; tetracenes	antineoplastic agent; prodrug; topoisomerase II inhibitor	low
ospemifene	aromatic ether; organochlorine compound; primary alcohol	anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator	low
tandutinib	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
emetine dihydrochloride	hydrochloride	anticoronaviral agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; protein synthesis inhibitor	low
bigelovin	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; immunomodulator; plant metabolite	low
l 663536	aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes	antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist	low
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione	benzenes; thiadiazolidine	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent	low
sc 560	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug	low
alsterpaullone	C-nitro compound; caprolactams; organic heterotetracyclic compound	anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor	low
ginkgetin	biflavonoid; hydroxyflavone; methoxyflavone; ring assembly	anti-HSV-1 agent; antineoplastic agent; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite	low
eupatilin	dihydroxyflavone; trimethoxyflavone	anti-inflammatory agent; anti-ulcer drug; antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite	low
quercetin	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger	low
vitexin	C-glycosyl compound; trihydroxyflavone	antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite; platelet aggregation inhibitor	low
apigenin	trihydroxyflavone	antineoplastic agent; metabolite	low
luteolin	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist	low
calcitriol	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical	low
herbacetin	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; plant metabolite	low
hymecromone	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor	low
chrysoeriol	monomethoxyflavone; trihydroxyflavone	antineoplastic agent; antioxidant; metabolite	low
dexmedetomidine	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; metabolite	low
bryostatin 1	acetate ester; bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol	alpha-secretase activator; anti-HIV-1 agent; antineoplastic agent; marine metabolite; protein kinase C agonist	low
quercetin 3-o-glucopyranoside	beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite	low
9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2	prostaglandins J; secondary alcohol	antineoplastic agent; antiviral agent	low
pyrvinium	quinolinium ion	anthelminthic drug; antineoplastic agent	low
cyclobenzaprine	9,11,13-octadecatrienoic acid	antineoplastic agent; plant metabolite	low
cucurbitacin i	cucurbitacin; tertiary alpha-hydroxy ketone	antineoplastic agent; plant metabolite	low
daphnoretin	aromatic ether; hydroxycoumarin	antineoplastic agent; antiviral agent; metabolite	low
costunolide	germacranolide; heterobicyclic compound	anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite	low
eupatolide	gamma-lactone; germacranolide; homoallylic alcohol; secondary alcohol	antineoplastic agent; plant metabolite	low
oleuropein	beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside	anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger	low
agathisflavone	biaryl; biflavonoid; hydroxyflavone	antineoplastic agent; antiviral agent; hepatoprotective agent; metabolite	low
baicalein	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger	low
chrysin	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite	low
diosmetin	3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent	low
hinokiflavone	aromatic ether; biflavonoid; hydroxyflavone	antineoplastic agent; metabolite; neuroprotective agent	low
hispidulin	monomethoxyflavone; trihydroxyflavone	anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite	low
gartanin	polyphenol; xanthones	antineoplastic agent; plant metabolite	low
mangostin	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite	low
norathyriol	polyphenol; xanthones	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite	low
morin	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent	low
morusin	extended flavonoid; trihydroxyflavone	antineoplastic agent; plant metabolite	low
myricetin	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite	low
robustaflavone	biflavonoid; hydroxyflavone; ring assembly	anti-HBV agent; antineoplastic agent; antioxidant; metabolite	low
tricetin	pentahydroxyflavone	antineoplastic agent; metabolite	low
wogonin	dihydroxyflavone; monomethoxyflavone	angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite	low
daidzein	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite	low
astringin	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	antineoplastic agent; antioxidant; metabolite	low
pterostilbene	diether; methoxybenzenes; stilbenol	anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger	low
irilone	hydroxyisoflavone; organic heterotricyclic compound; oxacycle	antineoplastic agent; immunomodulator; metabolite	low
caffeic acid phenethyl ester	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent	low
wedelolactone	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite	low
maytansine	alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound	antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator	low
rottlerin	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite	low
tectochrysin	monohydroxyflavone; monomethoxyflavone	antidiarrhoeal drug; antineoplastic agent; plant metabolite	low
plaunotol	diterpenoid; primary alcohol	anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary	low
tranilast	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent	low
tocotrienol, beta	tocotrienol; vitamin E	antineoplastic agent; apoptosis inducer; plant metabolite	low
gamma-tocotrienol	tocotrienol; vitamin E	antineoplastic agent; antioxidant; apoptosis inducer; hepatoprotective agent; plant metabolite; radiation protective agent	low
tocotrienol, delta	tocotrienol; vitamin E	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bone density conservation agent; NF-kappaB inhibitor; plant metabolite; radiation protective agent; Saccharomyces cerevisiae metabolite	low
4'-hydroxychalcone	chalcones; phenols	anti-inflammatory agent; antineoplastic agent	low
isotretinoin	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent	low
9,11-linoleic acid	octadeca-9,11-dienoic acid	anti-inflammatory agent; antiatherogenic agent; antineoplastic agent; apoptosis inducer; bacterial xenobiotic metabolite; human metabolite	low
camostat mesylate	methanesulfonate salt	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor	low
sirolimus	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor	low
3',4',7-trihydroxyisoflavone	7-hydroxyisoflavones	antineoplastic agent; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite	low
alvocidib	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
fenretinide	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant	low
geldanamycin	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor	low
4-oxoretinol	cyclic ketone; enone; primary allylic alcohol; retinoid	antineoplastic agent	low
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent	low
vinorelbine	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent	low
centaureidin	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; plant metabolite	low
3,3'-di-o-methylquercetin	3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone	antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
ethyl caffeate	alkyl caffeate ester; ethyl ester; hydroxycinnamic acid	anti-inflammatory agent; antineoplastic agent; metabolite	low
andrographolide	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite	low
isoginkgetin	aromatic ether; biflavonoid	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite	low
cudraflavone c	tetrahydroxyflavone	antibacterial agent; antineoplastic agent; plant metabolite	low
neobavaisoflavone	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; plant metabolite; platelet aggregation inhibitor	low
neoglycyrol	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; plant metabolite	low
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one	dihydroxyflavone; monomethoxyflavone	antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor	low
spiraeoside	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; plant metabolite	low
rhamnazin	aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone	antineoplastic agent; plant metabolite	low
oridonin	cyclic hemiketal; enone; ent-kaurane diterpenoid; organic heteropentacyclic compound; secondary alcohol	angiogenesis inhibitor; anti-asthmatic agent; antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
pd 166866	biaryl; dimethoxybenzene; primary arylamine; pyridopyrimidine; ureas	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
semaxinib	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	low
su 11248	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist	low
palbociclib	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
mitoguazone	guanidines; hydrazone	antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor	low
reumycin	carbonyl compound; pyrimidotriazine	antimicrobial agent; antineoplastic agent; bacterial metabolite	low
ergosterol-5,8-peroxide	3beta-sterol; ergostanoid; organic peroxide; phytosterols	antimycobacterial drug; antineoplastic agent; metabolite; trypanocidal drug	low
ermanin	dihydroxyflavone; dimethoxyflavone	anti-inflammatory agent; antimycobacterial drug; antineoplastic agent; apoptosis inducer; plant metabolite	low
romidepsin	cyclodepsipeptide; heterocyclic antibiotic; organic disulfide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	low
sulindac sulfide	aryl sulfide; monocarboxylic acid; organofluorine compound	antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug	low
bay 11-7085	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor	low
macluraxanthone b	phenols; xanthones	anti-HIV agent; antineoplastic agent; metabolite	low
flavokawain b	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite	low
tamsulosin hydrochloride	hydrochloride	alpha-adrenergic antagonist; antineoplastic agent	low
batimastat	hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor	low
glyceryl behenate	1-monoglyceride; fatty acid ester	antineoplastic agent; plant metabolite	low
jaceosidin	dimethoxyflavone; trihydroxyflavone	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; metabolite	low
5,7,3'-trihydroxy-3,4'-dimethoxyflavone	dimethoxyflavone; trihydroxyflavone	antineoplastic agent; metabolite	low
pederin	cyclic ketal; diol; oxanes; polyketide; secondary alcohol; secondary carboxamide	antimitotic; antineoplastic agent; bacterial metabolite; vesicant	low
artocarpin lectin	monomethoxyflavone; trihydroxyflavone	antineoplastic agent; metabolite	low
cisplatin	diamminedichloroplatinum	antineoplastic agent; apoptosis inducer; cross-linking reagent; ferroptosis inducer; genotoxin; mutagen; nephrotoxin; photosensitizing agent	low
bleomycin	bleomycin	antineoplastic agent; metabolite	low
beta-aminopropionitrile fumarate (2:1)	fumarate salt	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite	low
gamma-mangostin	phenols; xanthones	antineoplastic agent; plant metabolite; protein kinase inhibitor	low
demethoxycurcumin	beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antineoplastic agent; metabolite	low
cystothiazole a	1,3-thiazoles; biaryl; enoate ester; enol ether; methyl ester; organonitrogen heterocyclic antibiotic	antifungal agent; antineoplastic agent; bacterial metabolite	low
lespenefril	alpha-L-rhamnoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; apoptosis inducer; bone density conservation agent; hypoglycemic agent; immunomodulator; plant metabolite	low
baohuoside i	glycosyloxyflavone	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
arglabin	epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone	antineoplastic agent; metabolite	low
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one	enone; pyridines	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor	low
ma-1	carboxamidine; organochlorine compound; pyrimidone; pyrrolidines	antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor	low
apratoxin a	1,3-thiazoles; apratoxin	antineoplastic agent; metabolite	low
coronardine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antileishmanial agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
ascofuranone	dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid; tetrahydrofuranone	angiogenesis inhibitor; antilipemic drug; antineoplastic agent; antiprotozoal drug; fungal metabolite	low
columbianadin	alpha,beta-unsaturated carboxylic ester; furanocoumarin	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; plant metabolite; rat metabolite	low
germacrone	germacrane sesquiterpenoid; olefinic compound	androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component	low
rhizoxin	1,3-oxazoles; epoxide; macrolide antibiotic	antimitotic; antineoplastic agent; metabolite	low
sibiromycin	aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine	antineoplastic agent; bacterial metabolite	low
bryostatin 2	bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol	antineoplastic agent; marine metabolite; protein kinase C agonist	low
manumycin	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite	low
thermozymocidin	alpha-amino fatty acid; hydroxy monocarboxylic acid; non-proteinogenic alpha-amino acid; sphingoid	antifungal agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor; fungal metabolite; immunosuppressive agent	low
asukamycin	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite	low
everolimus	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor	low
13(S)-HODE	HODE	antineoplastic agent; human xenobiotic metabolite; mouse metabolite	low
ixabepilone	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent	low
salvianolic acid B	1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite	low
l 744832	benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector	low
sophoraflavanone a	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	antibacterial agent; antineoplastic agent; metabolite	low
tanespimycin	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor	low
manzamine a	alkaloid; beta-carbolines; isoquinolines	animal metabolite; anti-HSV-1 agent; antimalarial; antineoplastic agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; marine metabolite	low
aureothin	4-pyranones; C-nitro compound; ketene acetal; olefinic compound; oxolanes	antibacterial agent; antifungal agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor	low
fostriecin	2-pyranones; olefinic compound; phosphate monoester; polyketide; primary allylic alcohol; secondary allylic alcohol; triol	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; topoisomerase II inhibitor	low
artesunate	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer	low
ru 58668	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone	anti-estrogen; antineoplastic agent; estrogen receptor antagonist	low
soblidotin	tetrapeptide	antineoplastic agent; apoptosis inducer; microtubule-destabilising agent	low
beta-elemene	beta-elemene	antineoplastic agent	low
laulimalide	carboxylic ester; epoxide; macrolide; secondary alcohol; secondary allylic alcohol	animal metabolite; antimitotic; antineoplastic agent; marine metabolite; microtubule-stabilising agent	low
jwh-133	benzochromene; dibenzopyran; organic heterotricyclic compound	analgesic; anti-inflammatory agent; antineoplastic agent; apoptosis inhibitor; CB2 receptor agonist; opioid analgesic; vasodilator agent	low
belinostat	hydroxamic acid; olefinic compound; sulfonamide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	low
on 01910	N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine	antineoplastic agent; apoptosis inducer; EC 2.7.11.21 (polo kinase) inhibitor; microtubule-destabilising agent	low
panobinostat	cinnamamides; hydroxamic acid; methylindole; secondary amino compound	angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	low
bml 210	dicarboxylic acid diamide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	low
bufalin	14beta-hydroxy steroid; 3beta-hydroxy steroid	animal metabolite; anti-inflammatory agent; antineoplastic agent; cardiotonic drug	low
alpha-solanine	glycoalkaloid; organic heterohexacyclic compound; steroid saponin; trisaccharide derivative	antineoplastic agent; apoptosis inducer; phytotoxin; plant metabolite	low
rhosin	D-tryptophan derivative; hydrazone; quinoxaline derivative	antineoplastic agent; RhoA inhibitor; RhoC inhibitor	low
s-allylcysteine	L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine	antineoplastic agent; metabolite	low
2-hydroxy-9-cis-octadecenoic acid	2-hydroxy fatty acid; hydroxy monounsaturated fatty acid; long-chain fatty acid	antihypertensive agent; antineoplastic agent; apoptosis inducer	low
dolastatin 10	1,3-thiazoles; tetrapeptide	animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent	low
plitidepsin	didemnin	anticoronaviral agent; antineoplastic agent; marine metabolite	low
abiraterone acetate	pyridines; sterol ester	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor; prodrug	low
lenvatinib	aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist	low
nsc 716970	aromatic amine; aromatic ether; indolecarboxamide; organochlorine compound	antineoplastic agent	low
pd 0325901	difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound	antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor	low
midostaurin	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor	low
jasplakinolide	cyclodepsipeptide; phenols	actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent	low
muromonab-cd3	alkaloid; macrocycle; organic heteropentacyclic compound; organonitrogen heterocyclic compound; oxacycle; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; IP3 receptor antagonist; marine metabolite	low
ginsenoside m1	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; hepatoprotective agent; plant metabolite	low
cabazitaxel	tetracyclic diterpenoid	antineoplastic agent; microtubule-stabilising agent	low
elisidepsin	cyclodepsipeptide	antineoplastic agent	low
fr 148083	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor	low
mocetinostat	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent	low
tln 4601	dibenzodiazepine; farnesane sesquiterpenoid; olefinic compound; secondary amine; triol	antineoplastic agent; antioxidant; cathepsin L (EC 3.4.22.15) inhibitor	low
scio-469	aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
tmc-95a	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor	low
cp 724714	2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; hepatotoxic agent	low
9-methoxycanthin-6-one	aromatic ether; indole alkaloid; organic heterotetracyclic compound	antineoplastic agent; antiplasmodial drug; metabolite	low
topopyrone c	naphthochromene; p-quinones; phenols	antimicrobial agent; antineoplastic agent; antiviral agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; Penicillium metabolite	low
5-chloro-6-(1-(2-iminopyrrolidinyl) methyl)uracil hydrochloride	hydrochloride; iminium salt	antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor	low
fty 720p	monoalkyl phosphate; primary alcohol; primary amino compound	antineoplastic agent; immunosuppressive agent; sphingosine-1-phosphate receptor agonist	low
hmr 1275	hydrochloride	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
zm 447439	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor	low
ginsenoside f2	12beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; plant metabolite	low
ginsenoside rg3	ginsenoside; glycoside; tetracyclic triterpenoid	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
es-285	amino alcohol; sphingoid	antineoplastic agent	low
nidulalin a	methyl ester; phenols; xanthones	antimicrobial agent; antineoplastic agent; Penicillium metabolite	low
hypothemycin	aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone	antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite	low
rucaparib	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
jte 607	hydrochloride	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; CPSF3 inhibitor; prodrug	low
pasireotide	homodetic cyclic peptide; peptide hormone	antineoplastic agent	low
npi 2358	2,5-diketopiperazines; benzenes; imidazoles; olefinic compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; microtubule-destabilising agent	low
rubraxanthone	aromatic ether; polyphenol; xanthones	antibacterial agent; antineoplastic agent; metabolite	low
NNC 55-0396 (free base)	benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker	low
sr 11302	alpha,beta-unsaturated monocarboxylic acid; retinoid; toluenes	antineoplastic agent; AP-1 antagonist	low
sch 51344	aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound	antineoplastic agent	low
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid	11-oxo steroid; 3-oxo steroid; 7-oxo steroid; ergostanoid; monocarboxylic acid; steroid acid	anti-inflammatory agent; antineoplastic agent; plant metabolite	low
osu 03012	antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
ly2090314	diazepinoindole; imidazopyridine; maleimides; monofluorobenzenes; piperidinecarboxamide; ureas	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	low
cerberin	acetate ester; cardenolide glycoside; monosaccharide derivative	antineoplastic agent; metabolite	low
pateamine a	1,3-thiazoles; macrodiolide; olefinic compound; primary amino compound; tertiary amino compound	antineoplastic agent; antiviral agent; eukaryotic initiation factor 4F inhibitor; marine metabolite	low
6-hydroxytaxol	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent	low
avenanthramide b	amidobenzoic acid; cinnamamides; monohydroxybenzoic acid; monomethoxybenzene; phenols; secondary carboxamide	antineoplastic agent; apoptosis inducer; phytoalexin	low
ageladine a	alkaloid; aromatic amine; imidazopyridine; organobromine compound; pyrroles	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor; metabolite	low
ly-2157299	aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines	antineoplastic agent; TGFbeta receptor antagonist	low
azd 6244	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
azd2858	aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide	antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	low
bl1521	enamide; hydroxamic acid; monocarboxylic acid amide	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
jte 013	chloropyridine; pyrazolopyridine	anti-asthmatic agent; anti-inflammatory agent; antineoplastic agent; osteogenesis regulator; pro-angiogenic agent; sphingosine-1-phosphate receptor 2 antagonist	low
holomycin	acetamides; dithiolopyrrolone antibiotic	antibacterial agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite	low
binimetinib	benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
aee 788	6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug	low
saracatinib	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent	low
crenolanib	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
trilobacin	butenolide; polyketide; triol	antineoplastic agent; plant metabolite	low
manassantin b	benzodioxoles; dimethoxybenzene; lignan; oxolanes; secondary alcohol	antineoplastic agent; metabolite	low
pha 665752	dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide	antineoplastic agent; c-Met tyrosine kinase inhibitor	low
PB28	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist	low
tmc-95b	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor	low
fr 901464	acetate ester; cyclic hemiketal; monocarboxylic acid amide; pyrans; spiro-epoxide	antimicrobial agent; antineoplastic agent; bacterial metabolite	low
vinflunine	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid	antineoplastic agent	low
homocamptothecin	epsilon-lactone; organic heteropentacyclic compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor	low
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite	low
jaspamide b	cyclodepsipeptide; organobromine compound	animal metabolite; antineoplastic agent; marine metabolite	low
ossamycin	cyclic hemiketal; macrolide antibiotic; organic heterotetracyclic compound; secondary alcohol; spiroketal; tertiary alcohol	antineoplastic agent; bacterial metabolite	low
nigranoic acid	dicarboxylic acid; tetracyclic triterpenoid	antineoplastic agent; HIV-1 reverse transcriptase inhibitor; metabolite	low
esculeoside a	azaspiro compound; oxaspiro compound; saponin; steroid alkaloid; steroid saponin	antineoplastic agent; metabolite	low
azadirone	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	antineoplastic agent; antiplasmodial drug; plant metabolite	low
iejimalide b	ether; formamides; macrolide	antineoplastic agent; marine metabolite	low
migrastatin	ether; macrolide antibiotic; piperidones; secondary alcohol	antineoplastic agent; metabolite	low
cembra-2,7,11-triene-4,6-diol	cembrane diterpenoid	antineoplastic agent	low
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one	polyphenol; xanthones	anti-inflammatory agent; antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite	low
at 7867	monochlorobenzenes; piperidines; pyrazoles	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
ym 155	organic bromide salt	antineoplastic agent; apoptosis inducer; survivin suppressant	low
bielschowskysin	acetate ester; cyclic acetal; diterpenoid; gamma-lactone; organic heterohexacyclic compound	antimalarial; antineoplastic agent; metabolite	low
erastin	aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide	antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor	low
abt-737	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
brivanib	aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist	low
rx-3117	organofluorine compound; primary allylic alcohol; triol	antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug	low
ascochlorin	cyclohexanones; dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid	angiogenesis inhibitor; antifungal agent; antineoplastic agent; antiprotozoal drug; fungal metabolite	low
spiculoic acid a	carbobicyclic compound; cyclic ketone; oxo monocarboxylic acid; styrenes	antineoplastic agent; metabolite	low
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide	D-valine derivative; hydroxamic acid	antineoplastic agent; autophagy inducer; EC 3.4.24.24 (gelatinase A) inhibitor; melanin synthesis inhibitor	low
at 7519	dichlorobenzene; piperidines; pyrazoles; secondary carboxamide	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
ym 216391	1,3-oxazoles; 1,3-thiazoles; azamacrocycle; benzenes; heterodetic cyclic peptide	antineoplastic agent; bacterial metabolite	low
marizomib	beta-lactone; gamma-lactam; organic heterobicyclic compound; organochlorine compound; salinosporamide	antineoplastic agent; proteasome inhibitor	low
er-086526	cyclic ketal; cyclic ketone; macrocycle; polycyclic ether; polyether; primary amino compound	antineoplastic agent; microtubule-destabilising agent	low
obolactone	2-pyranones; 4-pyranones	antineoplastic agent; plant metabolite	low
episilvestrol	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite	low
abt 869	aromatic amine; indazoles; phenylureas	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
azd 1152	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug	low
pf 00299804	enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	low
ki11502	aromatic ether; benzamides; quinolines; thioureas	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
carfilzomib	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor	low
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
crizotinib	3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
trametinib	acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector	low
lyoniresinol	dimethoxybenzene; lignan; polyphenol; primary alcohol; tetralins	antineoplastic agent; metabolite	low
GDC-0879	indanes; ketoxime; primary alcohol; pyrazoles; pyridines	antineoplastic agent; B-Raf inhibitor	low
physalin b	enone; lactone; organic heteroheptacyclic compound; physalin	antimalarial; antimicrobial agent; antineoplastic agent	low
amrubicinol	diastereoisomeric mixture; quinone; secondary alcohol; tetracenes	antineoplastic agent; apoptosis inducer; topoisomerase II inhibitor	low
silvestrol	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite	low
at 13387	benzamides; isoindoles; N-alkylpiperazine; resorcinols; tertiary carboxamide	antineoplastic agent; Hsp90 inhibitor	low
cytotrienin a	cyclopropanecarboxylate ester; ether; hydroquinones; lactam; macrocycle; secondary alcohol	antibacterial agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; metabolite	low
2'-methoxykurarinone	4'-hydroxyflavanones; dihydroxyflavanone; dimethoxyflavanone	antineoplastic agent; metabolite	low
gedunin	acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid	antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite	low
monascin	alpha,beta-unsaturated ketone; gamma-lactone; organic heterotricyclic compound; polyketide	antilipemic drug; antineoplastic agent; fungal metabolite; PPARgamma agonist	low
monascorubrin	azaphilone; enone; gamma-lactone; polyketide; triketone	anti-inflammatory agent; antineoplastic agent; biological pigment; food colouring; fungal metabolite; Hsp90 inhibitor	low
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one	alkaloid; chromones; hydroxypiperidine; resorcinols; tertiary amino compound	anti-inflammatory agent; anti-ulcer drug; anticholesteremic drug; antileishmanial agent; antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; fungal metabolite; plant metabolite	low
SYC-435	benzenes; cyclic hydroxamic acid; pyridone	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	low
ligstroside	beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside	antineoplastic agent; plant metabolite	low
mogrol	hydroxy seco-steroid; tetracyclic triterpenoid	antineoplastic agent	low
simalikalactone D	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; triol	antimalarial; antineoplastic agent; antiviral agent; metabolite	low
4-methyl-5-pentylbenzene-1,3-diol	resorcinols	antineoplastic agent	low
mdv 3100	(trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound	androgen antagonist; antineoplastic agent	low
azd 1152-hqpa	anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor	low
adonixanthin	carotenone; cyclic ketone; secondary alcohol	algal metabolite; animal metabolite; antineoplastic agent; bacterial metabolite; marine metabolite; plant metabolite	low
schweinfurthin g	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; metabolite	low
abarelix	polypeptide	antineoplastic agent; hormone antagonist	low
forapin	peptidyl amide; polypeptide	animal metabolite; antineoplastic agent; apoptosis inducer; EC 2.7.11.13 (protein kinase C) inhibitor; hepatoprotective agent; neuroprotective agent; venom	low
gastrin 17	gastrin	antineoplastic agent	low
gdc-0973	aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
tubocapsanolide a	4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; withanolide	antineoplastic agent; NF-kappaB inhibitor	low
ro5126766	aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
pevonedistat	cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate	antineoplastic agent; apoptosis inducer	low
tg101209	N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
gsk690693	1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
cnf 2024	2-aminopurines; aromatic ether; organochlorine compound; pyridines	antineoplastic agent; Hsp90 inhibitor	low
ku 0063794	benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; mTOR inhibitor	low
respirantin	benzamides; cyclodepsipeptide; formamides; phenols	antimicrobial agent; antineoplastic agent; metabolite	low
sm 164	benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; radiosensitizing agent	low
berkeleydione	beta-diketone; cyclic terpene ketone; meroterpenoid; methyl ester; organic heterotetracyclic compound; terpene lactone; tertiary alcohol; tertiary alpha-hydroxy ketone	antineoplastic agent; cysteine protease inhibitor; Penicillium metabolite	low
lucidenic acid n	cyclic terpene ketone; dioxo monocarboxylic acid; secondary alcohol; tetracyclic triterpenoid	antineoplastic agent; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite	low
bromophycolide a	diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol	anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite	low
nnc 55-0396	hydrochloride	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker	low
meclofenamate sodium anhydrous	hydrate	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug	low
brequinar sodium	organic sodium salt	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor	low
borrelidin	aliphatic nitrile; diol; macrolide; monocarboxylic acid; secondary alcohol	antifungal agent; antimalarial; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite	low
olaparib	cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
plx 4720	aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor	low
lcl161	1,3-thiazoles; aromatic ketone; L-alanine derivative; monofluorobenzenes; N-acylpyrrolidine	antineoplastic agent; apoptosis inducer	low
aspergillide b	bridged compound; cyclic ether; macrolide; secondary alcohol	antineoplastic agent; Aspergillus metabolite	low
tenovin-6	monocarboxylic acid amide; tertiary amino compound; thioureas	antineoplastic agent; p53 activator; Sir2 inhibitor	low
lde225	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist	low
gdc 0449	benzamides; monochlorobenzenes; pyridines; sulfone	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent	low
bms 754807	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
marinopyrrole a	aromatic ketone; organochlorine compound; phenols; pyrroles	antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite	low
delanzomib	C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative	antineoplastic agent; apoptosis inducer; proteasome inhibitor	low
grassypeptolide	cyclodepsipeptide; macrocycle	antineoplastic agent; metabolite	low
pci 32765	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
spiruchostatin b	macrocyclic lactone; organic disulfide; organic heterobicyclic compound; spiruchostatin	antineoplastic agent; bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor	low
AMG-208	aromatic ether; quinolines; triazolopyridazine	antineoplastic agent; c-Met tyrosine kinase inhibitor	low
sch772984	biaryl; indazoles; N-acylpiperazine; N-alkylpyrrolidine; N-arylpiperazine; pyridines; pyrimidines; pyrrolidinecarboxamide; secondary carboxamide; tertiary amino compound; tertiary carboxamide	analgesic; antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
papuamide b	cyclodepsipeptide; olefinic compound; secondary alcohol; tertiary alcohol	anti-HIV-1 agent; antineoplastic agent; marine metabolite	low
antroquinonol d	enol ether; enone; secondary alcohol	antineoplastic agent; fungal metabolite	low
quizartinib	benzoimidazothiazole; isoxazoles; morpholines; phenylureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor	low
6-methoxyspirotryprostatin b	aromatic ether; azaspiro compound; indole alkaloid; indolones	antineoplastic agent; Aspergillus metabolite	low
niraparib	benzenes; indazoles; piperidines; primary carboxamide	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
niraparib	2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent	low
navitoclax	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
lucitanib	aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines	antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist	low
chondramide c	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite	low
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide	aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound	anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
cetrorelix	oligopeptide	antineoplastic agent; GnRH antagonist	low
histrelin	oligopeptide	antineoplastic agent; gonadotropin releasing hormone agonist	low
salvileucalin b	bridged compound; diterpenoid; furans; gamma-lactone	antineoplastic agent; metabolite	low
incb-018424	nitrile; pyrazoles; pyrrolopyrimidine	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
poziotinib	acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist	low
asp3026	aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone	antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor	low
entrectinib	benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide	antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
pexidartinib	aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
TAK-580	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor	low
glasdegib	benzimidazoles; nitrile; phenylureas; piperidines	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist	low
ixazomib	benzamides; boronic acids; dichlorobenzene; glycine derivative	antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor	low
cx 5461	diazepine; naphthyridine derivative; organic heterotetracyclic compound; pyrazines; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.7.6 (RNA polymerase) inhibitor	low
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol	benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; apoptosis inducer; mTOR inhibitor	low
plx4032	aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor	low
GDC-0623	hydroxamic acid ester; imidazopyridine; monofluorobenzenes; organoiodine compound; primary alcohol; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor	low
INDY	benzothiazoles; enone; organic hydroxy compound	antineoplastic agent; drug metabolite; EC 2.7.12.1 (dual-specificity kinase) inhibitor	low
7,8-dihydroxyflavanone	dihydroxyflavanone	antineoplastic agent; metabolite	low
dabrafenib	1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide	anticoronaviral agent; antineoplastic agent; B-Raf inhibitor	low
cblc137	aromatic ketone; carbazoles; methyl ketone; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; NF-kappaB inhibitor; p53 activator	low
2,3-dihydro-3beta-O-sulfate withaferin A	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide	antineoplastic agent; metabolite; plant metabolite	low
leachianone a	4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antimalarial; antineoplastic agent; metabolite	low
EG00229	benzothiadiazole; dicarboxylic acid monoamide; L-arginine derivative; secondary carboxamide; sulfonamide; thiophenes	angiogenesis inhibitor; antineoplastic agent; neuropilin receptor antagonist	low
jadomycin b	glycoside; jadomycin; organic heteropentacyclic compound	antibacterial agent; antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor; bacterial metabolite	low
tak-632	(trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor	low
chondramide a	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite	low
englerin a	cinnamate ester; glycolate ester; guaiane sesquiterpenoid	antineoplastic agent; metabolite	low
lrrk2-in1	aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
jq1 compound	carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer	low
ML-210	C-nitro compound; diarylmethane; isoxazoles; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; tertiary carboxamide	antineoplastic agent; EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer; prodrug	low
eurycomanone	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; pentol; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; tertiary alcohol	antimalarial; antineoplastic agent; metabolite	low
gilteritinib	aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
alectinib	aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
ML240	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent	low
torin 1	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor	low
abt-199	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
pracinostat	benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound	antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
physalin f	enone; epoxy steroid; lactone; physalin	antileishmanial agent; antimalarial; antineoplastic agent; apoptosis inducer; immunosuppressive agent	low
DMH1	aromatic ether; pyrazolopyrimidine; quinolines	antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor	low
torin 2	aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline	antineoplastic agent; mTOR inhibitor	low
oligomycin a	antibiotic antifungal agent; diketone; oligomycin; pentol	antineoplastic agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; nematicide	low
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea	aminopyrimidine; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas	antineoplastic agent; fibroblast growth factor receptor antagonist	low
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	11-oxo steroid; 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; secondary alpha-hydroxy ketone; steroid acid	antineoplastic agent; metabolite	low
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	11-oxo steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; steroid acid	antineoplastic agent; cholinergic antagonist; metabolite; serotonergic antagonist	low
chir 98014	aminopyrimidine; C-nitro compound; diaminopyridine; dichlorobenzene; imidazoles; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; hypoglycemic agent; tau aggregation inhibitor; Wnt signalling activator	low
gsk2656157	biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor	low
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide	acetamides; hydroxyindoles; tryptamines	antineoplastic agent; apoptosis inducer; plant metabolite	low
coumermycin	aromatic amide; coumarins; glycoside; heteroarenecarboxylate ester; pyrroles	antimicrobial agent; antineoplastic agent; bacterial metabolite; DNA synthesis inhibitor; Hsp90 inhibitor; topoisomerase IV inhibitor	low
lfm a13	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor	low
AZD3463	aminopiperidine; aminopyrimidine; indoles; monomethoxybenzene; organochlorine compound; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
calicheamicin gamma(1)i	calicheamicin; enediyne antibiotic; organoiodine compound	antineoplastic agent; metabolite	low
asperfuranone	2-benzofurans; cyclic ketone; diol; polyketide; secondary alcohol; tertiary alcohol; tertiary alpha-hydroxy ketone	antineoplastic agent; fungal metabolite	low
ceritinib	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
pelabresib	monochlorobenzenes; organic heterotricyclic compound; primary carboxamide	antineoplastic agent; bromodomain-containing protein 4 inhibitor	low
MK-8353	aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
gsk2879552	benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor	low
ssr128129e	organic sodium salt	antineoplastic agent; fibroblast growth factor receptor antagonist	low
aspergillide a	bridged compound; cyclic ether; macrolide; secondary alcohol	antineoplastic agent; Aspergillus metabolite	low
capilliposide b	alpha-L-arabinopyranoside; bridged compound; cyclic ether; diol; hexacyclic triterpenoid; hexanoate ester; lactol; secondary alcohol; tetrasaccharide derivative; triterpenoid saponin	antineoplastic agent; plant metabolite	low
brasilicardin a	benzoate ester; carbotricyclic compound; diterpenoid; N-acetyl-D-glucosaminide; non-proteinogenic alpha-amino acid; phenols	antimicrobial agent; antineoplastic agent; bacterial metabolite; immunosuppressive agent	low
surfactin A	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; surfactant	low
acp-196	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
gsk343	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor	low
myriaporone 3	beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol	antineoplastic agent; metabolite	low
osimertinib	acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	low
ivosidenib	cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	low
phleomycin d1	bi-1,3-thiazole; chelate-forming peptide; disaccharide derivative; glycopeptide; guanidines	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite	low
ly3009120	aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor	low
pf-06463922	aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
as 1842856	organofluorine compound; primary amino compound; quinolinemonocarboxylic acid; quinolone; secondary amino compound; tertiary amino compound	anti-obesity agent; antineoplastic agent; apoptosis inducer; autophagy inhibitor; forkhead box protein O1 inhibitor; hypoglycemic agent	low
physalin d	5alpha-hydroxy steroid; 6beta-hydroxy steroid; cyclic ether; enone; lactone; organic heteroheptacyclic compound; physalin	antimalarial; antimycobacterial drug; antineoplastic agent	low
acarbose	chondramide; indoles; organochlorine compound; phenols	antineoplastic agent; bacterial metabolite	low
sr9243	bromobenzenes; sulfonamide; sulfone	antineoplastic agent; apoptosis inducer; liver X receptor inverse agonist	low
CCT251545	azaspiro compound; chloropyridine; pyrazoles	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; Wnt signalling inhibitor	low
ldc4297	aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound	antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
hg-9-91-01	aminopyrimidine; dimethoxybenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas; secondary amino compound	antineoplastic agent; salt-inducible kinase 2 inhibitor	low
cigb-300	heterodetic cyclic peptide; polypeptide	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
chondramide d	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite	low
bassianolide	cyclodepsipeptide; cyclooctadepsipeptide	antineoplastic agent; fungal metabolite; insecticide	low
enasidenib	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	low
BDA-366	anthraquinone; epoxide; secondary alcohol; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer	low
ebc-46	diester; diterpenoid; organic heteropentacyclic compound; phorbol ester	antineoplastic agent; plant metabolite; protein kinase C agonist	low
THZ531	aminopyrimidine; enamide; indoles; N-acylpiperidine; organochlorine compound; secondary amino compound; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
can 508	aromatic amine; monoazo compound; phenols; pyrazoles	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
levoleucovorin	5-formyltetrahydrofolic acid	antineoplastic agent; metabolite	low
rifampin	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor	low
azaguanine	nucleobase analogue; triazolopyrimidines	antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor	low
pemetrexed	N-acyl-L-glutamic acid; pyrrolopyrimidine	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor	low
tirapazamine	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer	low
pyrazofurin	C-glycosyl compound; pyrazoles	antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor	low
MMP-9-IN-1	aromatic compound; organic sulfide; organofluorine compound; pyrimidone; secondary carboxamide	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor	low
hydrazinocurcumin	aromatic ether; olefinic compound; polyphenol; pyrazoles	angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
9-arabinofuranosylguanine	beta-D-arabinoside; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor	low
cerulomycin	aldoxime; aromatic ether; bipyridines; pyridine alkaloid	antineoplastic agent; bacterial metabolite; marine metabolite	low
undecylprodigiosin	alkaloid; aromatic ether; tripyrrole	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; biological pigment; immunosuppressive agent; radiosensitizing agent	low
ver 52296	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor	low
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile	hydroxyindoles; morpholines; nitrile; pyridines; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; tau aggregation inhibitor	low
XL413	benzofuropyrimidine; organochlorine compound; pyrrolidines	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
pp242	aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine	antineoplastic agent; mTOR inhibitor	low
marineosin a	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite	low
marineosin b	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite	low
ARS-1620	quinazolines	antineoplastic agent; antiviral agent; inhibitor	low
sotorasib	acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide	antineoplastic agent	low

Substance	Classes	Roles	Relationship Strength
xl147	aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
pi103	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
idelalisib	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
xl765	aromatic amine; aromatic ether; benzamides; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
1-NA-PP1	pyrazolopyrimidine	tyrosine kinase inhibitor	low
imatinib	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor	low
1-tert-butyl-3-naphthalen-1-ylmethyl-1h-pyrazolo(3,4-d)pyrimidin-4-ylemine	pyrazolopyrimidine	tyrosine kinase inhibitor	low
pd 173074	aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist	low
5-(n,n-hexamethylene)amiloride	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker	low
cgs 15943	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant	low
chlorambucil	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent	low
doxazosin	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent	low
6-anilino-5,8-quinolinedione	aminoquinoline; aromatic amine; p-quinones; quinolone	antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor	low
pd 158780	aromatic amine; bromobenzenes; diamine; pyridopyrimidine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
guanazole	aromatic amine; triazoles	antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor	low
pomalidomide	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator	low
lenalidomide	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator	low
iFSP1	aromatic amine; nitrile; primary amino compound; pyridobenzimidazole; toluenes	antineoplastic agent; ferroptosis inducer; ferroptosis suppressor protein 1 inhibitor	low
palbociclib	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
nsc 716970	aromatic amine; aromatic ether; indolecarboxamide; organochlorine compound	antineoplastic agent	low
sch 51344	aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound	antineoplastic agent	low
ageladine a	alkaloid; aromatic amine; imidazopyridine; organobromine compound; pyrroles	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor; metabolite	low
azd2858	aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide	antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	low
abt-737	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
abt 869	aromatic amine; indazoles; phenylureas	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
trametinib	acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector	low
gdc-0973	aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
gsk690693	1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
plx 4720	aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor	low
pci 32765	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
asp3026	aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone	antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor	low
pexidartinib	aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
plx4032	aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor	low
lrrk2-in1	aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
gilteritinib	aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
ML240	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent	low
abt-199	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
DMH1	aromatic ether; pyrazolopyrimidine; quinolines	antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor	low
acp-196	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
ly3009120	aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor	low
enasidenib	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	low
can 508	aromatic amine; monoazo compound; phenols; pyrazoles	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
tirapazamine	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer	low
pp242	aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine	antineoplastic agent; mTOR inhibitor	low

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	2000's	2010's	post-2020
b 844-39	1	diarylmethane		2017	2017	7.0	low	0	1	0
pk 11195	3	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent	2017	2020	5.3	low	0	3	0
jtv519	3			2017	2020	5.3	high	0	3	0
alprazolam	3	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic	2017	2020	5.3	low	0	3	0
dan 2163	3	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic	2017	2020	5.3	low	0	3	0
amlexanox	3	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug	2017	2020	5.3	low	0	3	0
astemizole	3	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist	2017	2020	5.3	low	0	3	0
benzbromarone	3	1-benzofurans; aromatic ketone	uricosuric drug	2017	2020	5.3	low	0	3	0
2-cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-2-propenamide	1	hydroxycinnamic acid		2011	2011	13.0	medium	0	1	0
bisindolylmaleimide i	3			2017	2020	5.3	low	0	3	0
bufexamac	3	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug	2017	2020	5.3	low	0	3	0
cadralazine	3	organic molecular entity		2017	2020	5.3	low	0	3	0
carvedilol	2	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent	2019	2020	4.5	low	0	2	0
cetirizine	2	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic	2019	2020	4.5	low	0	2	0
chlorcyclizine	3	diarylmethane		2017	2020	5.3	low	0	3	0
ci 994	3	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	2017	2020	5.3	low	0	3	0
cyclosporine	2			2017	2020	5.5	high	0	2	0
n(6),n(6)-dimethyladenine	1	tertiary amine		2011	2011	13.0	low	0	1	0
fenbendazole	3	aryl sulfide; benzimidazoles; carbamate ester	antinematodal drug	2017	2020	5.3	low	0	3	0
berotek	1	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent	2017	2017	7.0	low	0	1	0
go 6976	4	indolocarbazole; organic heterohexacyclic compound	EC 2.7.11.13 (protein kinase C) inhibitor	2011	2020	7.2	low	0	4	0
gw8510	1			2011	2011	13.0	low	0	1	0
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide	1	bromobenzenes; isoquinolines; olefinic compound; secondary amino compound; sulfonamide	EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor	2011	2011	13.0	medium	0	1	0
fasudil	1	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent	2011	2011	13.0	low	0	1	0
haloperidol	3	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist	2017	2020	5.3	low	0	3	0
homochlorocyclizine	3	diarylmethane		2017	2020	5.3	low	0	3	0
hydroxyzine	3	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist	2017	2020	5.3	low	0	3	0
ifenprodil	3	piperidines		2017	2020	5.3	low	0	3	0
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone	3	naphthalenes		2017	2020	5.3	medium	0	3	0
nsc 664704	1	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector	2011	2011	13.0	low	0	1	0
ketamine	3	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic	2017	2020	5.3	low	0	3	0
ketoprofen	3	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic	2017	2020	5.3	low	0	3	0
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	1	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector	2011	2011	13.0	low	0	1	0
mebendazole	3	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator	2017	2020	5.3	low	0	3	0
mephenesin	3	aromatic ether; glycerol ether		2017	2020	5.3	low	0	3	0
niclosamide	3	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor	2017	2020	5.3	low	0	3	0
olomoucine	1	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	2011	2011	13.0	low	0	1	0
oxibendazole	3	benzimidazoles; carbamate ester		2017	2020	5.3	low	0	3	0
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine	3			2017	2020	5.3	low	0	3	0
perphenazine	3	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug	2017	2020	5.3	low	0	3	0
3,3',4,5'-tetrahydroxystilbene	1	stilbenoid		2011	2011	13.0	medium	0	1	0
pimobendan	3	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent	2017	2020	5.3	low	0	3	0
ag 1879	4	aromatic amine; monochlorobenzenes; pyrazolopyrimidine	beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector	2011	2020	7.2	low	0	4	0
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one	2	indoles		2017	2020	5.5	medium	0	2	0
ro 31-8220	3	imidothiocarbamic ester; indoles; maleimides	EC 2.7.11.13 (protein kinase C) inhibitor	2017	2020	5.3	low	0	3	0
ropinirole	3	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist	2017	2020	5.3	low	0	3	0
sb 220025	1	aminopyrimidine; imidazoles; organofluorine compound; piperidines	angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2011	2011	13.0	low	0	1	0
sb 239063	1	imidazoles		2011	2011	13.0	low	0	1	0
sb 202190	1	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2011	2011	13.0	low	0	1	0
imatinib	2	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor	2010	2011	13.5	low	1	1	0
vorinostat	4	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	2017	2021	4.8	low	0	3	1
gatifloxacin	1	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	2011	2011	13.0	low	0	1	0
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine	2	stilbenoid		2017	2020	5.5	high	0	2	0
trifluperidol	1	aromatic ketone		2017	2017	7.0	low	0	1	0
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	3	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent	2017	2020	5.3	low	0	3	0
zotepine	3	dibenzothiepine; tertiary amino compound	alpha-adrenergic drug; second generation antipsychotic; serotonergic drug	2017	2020	5.3	low	0	3	0
colchicine	3	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen	2017	2020	5.3	low	0	3	0
benziodarone	3	aromatic ketone		2017	2020	5.3	low	0	3	0
cyclizine	1	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic	2019	2019	5.0	low	0	1	0
trehalose	3	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	2017	2020	5.3	low	0	3	0
triclocarban	3	dichlorobenzene; monochlorobenzenes; phenylureas	antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic	2017	2020	5.3	low	0	3	0
1,3-diphenylurea	1	phenylureas	cytokinin; plant metabolite	2011	2011	13.0	low	0	1	0
pyrazolanthrone	1	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector	2011	2011	13.0	low	0	1	0
4-tert-octylphenol	3	alkylbenzene		2017	2020	5.3	low	0	3	0
ethamivan	3	methoxybenzenes; phenols		2017	2020	5.3	low	0	3	0
methysergide	3	ergoline alkaloid		2017	2020	5.3	low	0	3	0
emetine	3	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor	2017	2020	5.3	low	0	3	0
podophyllotoxin	3	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	2017	2020	5.3	low	0	3	0
etonitazene	3			2017	2020	5.3	low	0	3	0
clothiapine	3	dibenzothiazepine		2017	2020	5.3	low	0	3	0
benperidol	3	aromatic ketone		2017	2020	5.3	low	0	3	0
7-hydroxychlorpromazine	3	phenothiazines		2017	2020	5.3	medium	0	3	0
camptothecin	3	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite	2017	2020	5.3	low	0	3	0
thenalidine	3	dialkylarylamine; tertiary amino compound		2017	2020	5.3	medium	0	3	0
bromocriptine	3	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist	2017	2020	5.3	low	0	3	0
dexchlorpheniramine	3	chlorphenamine		2017	2020	5.3	low	0	3	0
dv 1006	3			2017	2020	5.3	medium	0	3	0
climbazole	3	aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes		2017	2020	5.3	low	0	3	0
triadimenol	3	aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite	2017	2020	5.3	medium	0	3	0
amonafide	3	isoquinolines		2017	2020	5.3	low	0	3	0
flupirtine	3	aminopyridine		2017	2020	5.3	low	0	3	0
chaetochromin	3			2017	2020	5.3	medium	0	3	0
enoximone	3	aromatic ketone		2017	2020	5.3	low	0	3	0
aripiprazole	3	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist	2017	2020	5.3	low	0	3	0
norharman	1	beta-carbolines; mancude organic heterotricyclic parent	fungal metabolite; marine metabolite	2011	2011	13.0	low	0	1	0
aloxistatin	1	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor	2019	2019	5.0	low	0	1	0
indocate	3			2017	2020	5.3	medium	0	3	0
N(4)-acetylsulfathiazole	3	1,3-thiazoles; acetamides; sulfonamide	marine xenobiotic metabolite	2017	2020	5.3	high	0	3	0
cyclizine hydrochloride	2			2017	2020	5.5	medium	0	2	0
2,3-trimethylene-4-quinazolone	3	quinazolines		2017	2020	5.3	medium	0	3	0
1,3-dimethyluric acid	3	oxopurine	metabolite	2017	2020	5.3	low	0	3	0
danofloxacin	3	quinolines		2017	2020	5.3	low	0	3	0
nitrefazole	3	imidazoles		2017	2020	5.3	medium	0	3	0
methotrimeprazine	3	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist	2017	2020	5.3	low	0	3	0
honokiol	3	biphenyls		2017	2020	5.3	low	0	3	0
9-methoxyellipticine	3			2017	2020	5.3	low	0	3	0
3-aminophenoxazone	3	phenoxazine		2017	2020	5.3	low	0	3	0
3-deazaneplanocin	3			2017	2020	5.3	low	0	3	0
tryptanthrine	3	alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound		2017	2020	5.3	low	0	3	0
2-chlorodiazepam	3			2017	2020	5.3	medium	0	3	0
Polycartine B	3	phenazines		2017	2020	5.3	high	0	3	0
aminoquinuride dihydrochloride	3			2017	2020	5.3	high	0	3	0
thioproperazine mesylate	3	phenothiazines		2017	2020	5.3	medium	0	3	0
n(6)-(delta(2)-isopentenyl)adenine	3	6-isopentenylaminopurine	cytokinin	2017	2020	5.3	low	0	3	0
4-methyl-N-(phenylmethyl)benzenesulfonamide	3	sulfonamide		2017	2020	5.3	medium	0	3	0
eupatorin	1	dihydroxyflavone; polyphenol; trimethoxyflavone	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; Brassica napus metabolite; calcium channel blocker; P450 inhibitor; vasodilator agent	2011	2011	13.0	low	0	1	0
zpck	2			2019	2020	4.5	low	0	2	0
sr141716	3	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist	2017	2020	5.3	low	0	3	0
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide	2	aromatic ketone		2017	2020	5.5	high	0	2	0
fingolimod	3	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist	2017	2020	5.3	low	0	3	0
tesmilifene	3	diarylmethane		2017	2020	5.3	low	0	3	0
sr 27897	3	indolyl carboxylic acid		2017	2020	5.3	low	0	3	0
gefitinib	3	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	2008	2011	14.3	low	2	1	0
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine	3	leucine derivative		2017	2020	5.3	low	0	3	0
norketamine	3	organochlorine compound		2017	2020	5.3	low	0	3	0
indatraline	2	indanes		2019	2020	4.5	low	0	2	0
methotrexate	3	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent	2017	2020	5.3	low	0	3	0
salvinorin a	1	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen	2019	2019	5.0	low	0	1	0
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide	3			2017	2020	5.3	low	0	3	0
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide	3	phenylindole		2017	2020	5.3	low	0	3	0
ns 1608	1	ureas		2011	2011	13.0	medium	0	1	0
l 741626	3	piperidines		2017	2020	5.3	low	0	3	0
dx 8951	3	pyranoindolizinoquinoline		2017	2020	5.3	low	0	3	0
vatalanib	1	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	2011	2011	13.0	low	0	1	0
birb 796	1	aromatic ether; morpholines; naphthalenes; pyrazoles; ureas	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator	2011	2011	13.0	low	0	1	0
tipifarnib	3	imidazoles; monochlorobenzenes; primary amino compound; quinolone	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor	2017	2020	5.3	low	0	3	0
cyc 202	3	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	2017	2020	5.3	low	0	3	0
avasimibe	3	monoterpenoid		2017	2020	5.3	low	0	3	0
sb 203580	1	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent	2011	2011	13.0	low	0	1	0
erlotinib	2	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor	2010	2011	13.5	low	1	1	0
l 163191	3			2017	2020	5.3	low	0	3	0
dizocilpine	3	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist	2017	2020	5.3	low	0	3	0
s-benzylcysteine	3	S-aryl-L-cysteine zwitterion		2017	2020	5.3	high	0	3	0
chelidonine	3	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid		2017	2020	5.3	low	0	3	0
orantinib	1	monocarboxylic acid; oxindoles; pyrroles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	2011	2011	13.0	medium	0	1	0
lapatinib	5	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	2010	2020	8.6	low	1	4	0
sorafenib	3	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor	2008	2011	14.3	low	2	1	0
roxindole	3	indoles	alpha-adrenergic antagonist; serotonergic drug	2017	2020	5.3	low	0	3	0
conidendrin	3			2017	2020	5.3	high	0	3	0
Porfiromycine	3	mitomycin		2017	2020	5.3	high	0	3	0
nsc 95397	3	1,4-naphthoquinones		2017	2020	5.3	low	0	3	0
4-methyl-2-quinazolinamine	3			2017	2020	5.3	high	0	3	0
2-glycineamide-5-chlorophenyl-2-pyrryl ketone	3			2017	2020	5.3	high	0	3	0
niguldipine hydrochloride	2			2019	2020	4.5	medium	0	2	0
2,5-bis(5-hydroxymethyl-2-thienyl)furan	3	thiophenes		2017	2020	5.3	low	0	3	0
ritonavir	3	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic	2017	2020	5.3	low	0	3	0
bardoxolone methyl	1	cyclohexenones		2019	2019	5.0	low	0	1	0
Destruxin B	3	cyclodepsipeptide		2017	2020	5.3	high	0	3	0
tosylphenylalanyl chloromethyl ketone	3	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor	2017	2020	5.3	low	0	3	0
trichostatin a	1	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector	2019	2019	5.0	low	0	1	0
n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea	1			2011	2011	13.0	low	0	1	0
sitafloxacin	1	fluoroquinolone antibiotic; quinolines; quinolone antibiotic		2019	2019	5.0	low	0	1	0
2'-c-methylcytidine	3			2017	2020	5.3	low	0	3	0
jp-1302	3			2017	2020	5.3	medium	0	3	0
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one	3	benzodiazepine		2017	2020	5.3	high	0	3	0
tenatoprazole	3	imidazopyridine		2017	2020	5.3	low	0	3	0
s 1033	4	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	2010	2020	7.5	low	1	3	0
5-[(2-fluoroanilino)methyl]-8-quinolinol	3	hydroxyquinoline		2017	2020	5.3	high	0	3	0
benidipine hydrochloride	2			2017	2020	5.5	low	0	2	0
benidipine	1			2019	2019	5.0	low	0	1	0
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one	3	quinazolines		2017	2020	5.3	high	0	3	0
chlorprothixene	3	chlorprothixene		2017	2020	5.3	medium	0	3	0
jrf 12	3			2017	2020	5.3	low	0	3	0
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester	3	methoxybenzenes; substituted aniline		2017	2020	5.3	high	0	3	0
4-(4-(4-chloro-phenyl)thiazol-2-ylamino)phenol	1	substituted aniline		2011	2011	13.0	low	0	1	0
3-hydroxypyridine, sodium salt	3			2017	2020	5.3	high	0	3	0
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide	3	naphthalenecarboxamide		2017	2020	5.3	medium	0	3	0
5-[(2-bromoanilino)methyl]-8-quinolinol	3	hydroxyquinoline		2017	2020	5.3	high	0	3	0
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide	4			2011	2020	7.2	medium	0	4	0
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline	3	aromatic amine		2017	2020	5.3	high	0	3	0
cct018159	1	benzodioxine; pyrazoles; resorcinols	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor	2011	2011	13.0	low	0	1	0
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide	3	piperidinecarboxamide		2017	2020	5.3	high	0	3	0
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol	3	hydroxyquinoline		2017	2020	5.3	high	0	3	0
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide	3	acetamides; anilide		2017	2020	5.3	high	0	3	0
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide	3	aromatic amide; thiophenes		2017	2020	5.3	high	0	3	0
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone	3	dimethoxybenzene		2017	2020	5.3	high	0	3	0
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide	3	aromatic amide		2017	2020	5.3	high	0	3	0
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide	3	aromatic ether		2017	2020	5.3	high	0	3	0
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione	3	maleimides		2017	2020	5.3	high	0	3	0
Src Inhibitor-1	3	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	2017	2020	5.3	high	0	3	0
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one	3	dimethoxybenzene		2017	2020	5.3	high	0	3	0
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide	3	quinolines		2017	2020	5.3	high	0	3	0
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine	3	pyrroles		2017	2020	5.3	high	0	3	0
bi-78d3	3	aryl sulfide		2017	2020	5.3	medium	0	3	0
kartogenin	3			2017	2020	5.3	low	0	3	0
toremifene	1	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator	2019	2019	5.0	low	0	1	0
bms 387032	1	1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	2011	2011	13.0	low	0	1	0
tandutinib	1	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2011	2011	13.0	low	0	1	0
vx-745	4	aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine	anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2011	2020	7.2	low	0	4	0
dasatinib	6	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	2008	2020	9.8	low	2	4	0
zd 6474	4	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor	2011	2020	7.2	low	0	4	0
N-methyl-2-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide	1	aryl sulfide		2011	2011	13.0	medium	0	1	0
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide	3	indoles		2011	2020	7.3	high	0	3	0
nih-12848	3			2017	2020	5.3	high	0	3	0
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide	3	quinazolines		2017	2020	5.3	high	0	3	0
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone	3	benzimidazoles		2017	2020	5.3	high	0	3	0
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile	3	imidazopyridine		2017	2020	5.3	high	0	3	0
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one	3	aromatic ketone		2017	2020	5.3	high	0	3	0
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester	3	oxopurine		2017	2020	5.3	high	0	3	0
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester	3	organonitrogen compound; organosulfur compound		2017	2020	5.3	high	0	3	0
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide	3	quinolines		2017	2020	5.3	high	0	3	0
LSM-1924	3	organic heterotricyclic compound; organooxygen compound		2017	2020	5.3	high	0	3	0
ferrostatin-1	3	ethyl ester; primary arylamine; substituted aniline	antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger	2017	2020	5.3	low	0	3	0
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine	3	C-nitro compound		2017	2020	5.3	high	0	3	0
ver-49009	1	aromatic amide; monochlorobenzenes; monomethoxybenzene; pyrazoles; resorcinols	Hsp90 inhibitor	2011	2011	13.0	medium	0	1	0
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide	1	benzamides; benzodioxoles; imidazoles; pyridines	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2011	2011	13.0	low	0	1	0
rabeprazole(1-)	2	organic nitrogen anion		2019	2020	4.5	high	0	2	0
alsterpaullone	1	C-nitro compound; caprolactams; organic heterotetracyclic compound	anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor	2011	2011	13.0	low	0	1	0
imd 0354	1	benzamides		2011	2011	13.0	low	0	1	0
ncgc00099374	3			2017	2020	5.3	high	0	3	0
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide	3	benzamides		2017	2020	5.3	high	0	3	0
acacetin	1	dihydroxyflavone; monomethoxyflavone	anticonvulsant; plant metabolite	2011	2011	13.0	low	0	1	0
luteolin	3	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist	2017	2020	5.3	low	0	3	0
cyclosporine	1			2019	2019	5.0	low	0	1	0
kaempferol	3	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite	2017	2020	5.3	low	0	3	0
genistein	3	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor	2017	2020	5.3	low	0	3	0
mycophenolate mofetil	3	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug	2017	2020	5.3	medium	0	3	0
bruceantin	3	triterpenoid		2017	2020	5.3	low	0	3	0
chrysin	3	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite	2017	2020	5.3	low	0	3	0
daidzein	3	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite	2017	2020	5.3	low	0	3	0
neticonazole	3	aromatic ether; benzenes; conazole antifungal drug; enamine; imidazole antifungal drug; imidazoles; methyl sulfide	antifungal drug; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor	2017	2020	5.3	medium	0	3	0
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine	3	endocannabinoid; N-acylethanolamine 22:6		2017	2020	5.3	medium	0	3	0
n-oleoylethanolamine	3	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist	2017	2020	5.3	low	0	3	0
alpha-zearalenol	3	macrolide		2017	2020	5.3	high	0	3	0
su 9516	3			2017	2020	5.3	low	0	3	0
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine	3	triazolopyrimidines		2017	2020	5.3	high	0	3	0
sb 277011	3			2017	2020	5.3	low	0	3	0
pd 166285	1			2011	2011	13.0	low	0	1	0
sb 223412	3			2017	2020	5.3	low	0	3	0
sr 59230a	3	tetralins		2017	2020	5.3	high	0	3	0
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide	3	pyrimidines		2017	2020	5.3	medium	0	3	0
kn 62	3	piperazines		2017	2020	5.3	low	0	3	0
MeJA	3	Jasmonate derivatives		2017	2020	5.3	high	0	3	0
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-	3			2017	2020	5.3	high	0	3	0
pd 161570	3			2017	2020	5.3	medium	0	3	0
bosutinib	1	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	2010	2010	14.0	low	1	0	0
su 11248	3	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist	2008	2017	12.3	low	2	1	0
palbociclib	4	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	2011	2020	7.2	low	0	4	0
jnj-7706621	4	sulfonamide		2011	2020	7.2	medium	0	4	0
virginiamycin factor s1	3	cyclodepsipeptide; macrolide antibiotic	antibacterial drug; bacterial metabolite	2017	2020	5.3	high	0	3	0
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one	1	organic heterotetracyclic compound; organofluorine compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	2011	2011	13.0	low	0	1	0
vx680	1	N-arylpiperazine		2011	2011	13.0	low	0	1	0
fenoterol	2	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent	2019	2020	4.5	low	0	2	0
xib 4035	3			2017	2020	5.3	high	0	3	0
gw-5074	1			2019	2019	5.0	low	0	1	0
cyc 116	1			2011	2011	13.0	low	0	1	0
belotecan	3	pyranoindolizinoquinoline		2017	2020	5.3	low	0	3	0
1-azakenpaullone	1	lactam; organic heterotetracyclic compound; organobromine compound; organonitrogen heterocyclic compound	EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	2011	2011	13.0	medium	0	1	0
a 419259	1			2011	2011	13.0	low	0	1	0
gdp 366	1			2011	2011	13.0	medium	0	1	0
norgestimate	3	ketoxime; steroid ester; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive	2017	2020	5.3	high	0	3	0
b 43	3	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector	2017	2020	5.3	medium	0	3	0
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine	3			2017	2020	5.3	medium	0	3	0
methiazole	3	benzimidazoles; carbamate ester		2017	2020	5.3	high	0	3	0
sb 218795	3	quinolines		2017	2020	5.3	medium	0	3	0
bvt.948	3			2017	2020	5.3	high	0	3	0
2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]ethanol	1	thiopurine		2011	2011	13.0	medium	0	1	0
fk 866	1	benzamides; N-acylpiperidine		2019	2019	5.0	low	0	1	0
a 38503	3			2017	2020	5.3	medium	0	3	0
parthenolide	2	sesquiterpene lactone	drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug	2017	2019	6.0	medium	0	2	0
a 770041	1	aromatic amide		2011	2011	13.0	medium	0	1	0
krn 633	3			2017	2020	5.3	medium	0	3	0
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid	3	organonitrogen heterocyclic compound; organosulfur heterocyclic compound		2017	2020	5.3	high	0	3	0
gw 501516	3	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist	2017	2020	5.3	low	0	3	0
dolastatin 10	3	1,3-thiazoles; tetrapeptide	animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent	2017	2020	5.3	low	0	3	0
cp 547632	1			2011	2011	13.0	low	0	1	0
bms345541	1	quinoxaline derivative		2011	2011	13.0	low	0	1	0
spc-839	3			2017	2020	5.3	low	0	3	0
adw 742	1			2011	2011	13.0	low	0	1	0
gw843682x	1	(trifluoromethyl)benzenes		2011	2011	13.0	low	0	1	0
midostaurin	3	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor	2017	2020	5.3	low	0	3	0
valnemulin	2			2019	2020	4.5	medium	0	2	0
nu 7026	3	organic heterotricyclic compound; organooxygen compound		2017	2020	5.3	low	0	3	0
sb 242235	1			2011	2011	13.0	low	0	1	0
osi 930	3	aromatic amide		2017	2020	5.3	medium	0	3	0
ticagrelor	3	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor	2017	2020	5.3	low	0	3	0
l 692585	3	peptide		2017	2020	5.3	high	0	3	0
pi103	5	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	2008	2020	9.0	low	1	4	0
nnc 26-9100	3	aminopyridine		2017	2020	5.3	medium	0	3	0
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine	3			2017	2020	5.3	high	0	3	0
tgx 221	1	pyridopyrimidine		2011	2011	13.0	low	0	1	0
tivozanib	3	aromatic ether		2017	2020	5.3	low	0	3	0
zm 447439	1	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor	2011	2011	13.0	low	0	1	0
hki 272	1	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor	2019	2019	5.0	low	0	1	0
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide	3			2017	2020	5.3	medium	0	3	0
rucaparib	1	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	2011	2011	13.0	low	0	1	0
cediranib	1	aromatic ether		2011	2011	13.0	low	0	1	0
tae226	4	morpholines		2011	2020	7.2	low	0	4	0
gw0742	3	monocarboxylic acid		2017	2020	5.3	low	0	3	0
tak-715	1	benzamides		2011	2011	13.0	low	0	1	0
u 18666a	3	hydrochloride	antiviral agent; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; Hedgehog signaling pathway inhibitor; nicotinic antagonist; sterol biosynthesis inhibitor	2017	2020	5.3	low	0	3	0
chir 99021	1	aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound	EC 2.7.11.26 (tau-protein kinase) inhibitor	2011	2011	13.0	low	0	1	0
sb 525334	3	quinoxaline derivative		2017	2020	5.3	low	0	3	0
ly2090314	1	diazepinoindole; imidazopyridine; maleimides; monofluorobenzenes; piperidinecarboxamide; ureas	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	2011	2011	13.0	medium	0	1	0
bx795	3	ureas		2017	2020	5.3	low	0	3	0
pazopanib	1	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist	2011	2011	13.0	low	0	1	0
azd 6244	3	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2017	2020	5.3	low	0	3	0
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea	3			2017	2020	5.3	medium	0	3	0
bay 61-3606	4	pyrimidines		2011	2020	7.2	high	0	4	0
sotrastaurin	1	indoles; maleimides; N-alkylpiperazine; N-arylpiperazine; quinazolines	anticoronaviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunosuppressive agent	2011	2011	13.0	low	0	1	0
sd-208	3			2017	2020	5.3	low	0	3	0
vx 702	1	phenylpyridine		2011	2011	13.0	low	0	1	0
crenolanib	3	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2017	2020	5.3	low	0	3	0
cj 033466	3			2017	2020	5.3	high	0	3	0
cc 401	3	pyrazoles; ring assembly		2017	2020	5.3	medium	0	3	0
PB28	3	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist	2017	2020	5.3	low	0	3	0
arterolane	3			2017	2020	5.3	low	0	3	0
cariprazine	3			2017	2020	5.3	low	0	3	0
krp-203	3			2017	2020	5.3	high	0	3	0
regorafenib	3	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor	2017	2020	5.3	low	0	3	0
at 7867	3	monochlorobenzenes; piperidines; pyrazoles	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	2017	2020	5.3	high	0	3	0
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester	3	pyrroloquinoline		2017	2020	5.3	high	0	3	0
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one	1	methoxybenzenes; substituted aniline		2011	2011	13.0	low	0	1	0
ptc 124	3	oxadiazole; ring assembly		2017	2020	5.3	low	0	3	0
degrasyn	2			2019	2020	4.5	low	0	2	0
cvt-6883	1			2011	2011	13.0	low	0	1	0
bi 2536	3			2017	2020	5.3	low	0	3	0
r 1487	1			2011	2011	13.0	medium	0	1	0
nvp-ast487	1			2011	2011	13.0	low	0	1	0
abt 869	1	aromatic amine; indazoles; phenylureas	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2011	2011	13.0	low	0	1	0
azd 1152	4	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug	2011	2020	7.2	medium	0	4	0
carfilzomib	3	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor	2017	2020	5.3	low	0	3	0
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	1	aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2011	2011	13.0	medium	0	1	0
gw 2580	1			2011	2011	13.0	low	0	1	0
idelalisib	3	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	2017	2020	5.3	low	0	3	0
osi 906	1	cyclobutanes; quinolines		2011	2011	13.0	low	0	1	0
motesanib	3	pyridinecarboxamide		2017	2020	5.3	medium	0	3	0
mln8054	1	benzazepine		2011	2011	13.0	low	0	1	0
pf-562,271	4	indoles		2011	2020	7.2	medium	0	4	0
pha 767491	1	pyrrolopyridine		2011	2011	13.0	low	0	1	0
gpi 15427	1			2011	2011	13.0	low	0	1	0
gliocladin c	3			2017	2020	5.3	high	0	3	0
sb 706504	3			2017	2020	5.3	high	0	3	0
ku-0060648	3	dibenzothiophenes		2017	2020	5.3	medium	0	3	0
dactolisib	1	imidazoquinoline; nitrile; quinolines; ring assembly; ureas	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	2011	2011	13.0	low	0	1	0
bgt226	3	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	2017	2020	5.3	medium	0	3	0
n-desmethyldanofloxacin	3			2017	2020	5.3	high	0	3	0
rabeprazole sodium	1	organic sodium salt		2017	2017	7.0	low	0	1	0
a-484954	1			2011	2011	13.0	low	0	1	0
azd 1152-hqpa	3	anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor	2011	2020	7.3	medium	0	3	0
CDN1163	3	aromatic ether; quinolines; secondary carboxamide	SERCA activator	2017	2020	5.3	medium	0	3	0
nvp-tae684	1	piperidines		2011	2011	13.0	low	0	1	0
gsk 269962a	4			2011	2020	7.2	high	0	4	0
3-[(1-methyl-3-indolyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one	1	indoles		2011	2011	13.0	medium	0	1	0
pha 848125	3			2017	2020	5.3	medium	0	3	0
tg101209	1	N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	2011	2011	13.0	low	0	1	0
nvp-bhg712	3	benzamides		2017	2020	5.3	medium	0	3	0
pf 04217903	4	quinolines		2011	2020	7.2	medium	0	4	0
3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile	1	pyrrolopyrimidine		2011	2011	13.0	medium	0	1	0
gdc 0941	1	indazoles; morpholines; piperazines; sulfonamide; thienopyrimidine	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	2011	2011	13.0	low	0	1	0
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one	3	aromatic ketone		2017	2020	5.3	high	0	3	0
ph 797804	4	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2011	2020	7.2	medium	0	4	0
srt1720	3			2017	2020	5.3	low	0	3	0
cudc 101	1			2010	2010	14.0	low	1	0	0
purfalcamine	3			2017	2020	5.3	high	0	3	0
mln 8237	1	benzazepine		2011	2011	13.0	low	0	1	0
bms 754807	3	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2017	2020	5.3	low	0	3	0
ponatinib	3	(trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine	antineoplastic agent; tyrosine kinase inhibitor	2017	2020	5.3	low	0	3	0
mk-1775	1	piperazines		2011	2011	13.0	low	0	1	0
quizartinib	3	benzoimidazothiazole; isoxazoles; morpholines; phenylureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor	2017	2020	5.3	low	0	3	0
mk 2206	1	organic heterotricyclic compound	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	2010	2010	14.0	low	1	0	0
navitoclax	3	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	2017	2020	5.3	low	0	3	0
sns 314	1	ureas		2011	2011	13.0	low	0	1	0
gsk 650394	3	phenylpyridine		2017	2020	5.3	medium	0	3	0
dcc-2036	3	organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines	tyrosine kinase inhibitor	2017	2020	5.3	medium	0	3	0
cabozantinib	3	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor	2017	2020	5.3	low	0	3	0
entrectinib	1	benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide	antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2011	2011	13.0	low	0	1	0
TAK-580	3	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor	2017	2020	5.3	medium	0	3	0
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one	3	chromones		2017	2020	5.3	high	0	3	0
pf 3758309	3	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound		2017	2020	5.3	low	0	3	0
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol	2	benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; apoptosis inducer; mTOR inhibitor	2019	2020	4.5	low	0	2	0
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine	3	aryl sulfide; thienopyrimidine		2017	2020	5.3	high	0	3	0
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine	3	aryl sulfide; thienopyrimidine		2017	2020	5.3	high	0	3	0
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine	3	aryl sulfide; thienopyrimidine		2017	2020	5.3	high	0	3	0
baricitinib	3	azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide	anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent	2017	2020	5.3	low	0	3	0
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine	3	quinazolines		2017	2020	5.3	high	0	3	0
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone	3	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound		2017	2020	5.3	medium	0	3	0
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide	3	hydroxyquinoline		2017	2020	5.3	high	0	3	0
p505-15	3			2017	2020	5.3	high	0	3	0
mrt67307	3	aromatic amine		2017	2020	5.3	medium	0	3	0
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide	3	piperazines		2017	2020	5.3	high	0	3	0
ribociclib	3			2017	2020	5.3	low	0	3	0
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone	3	aromatic ketone; thienopyrimidine		2017	2020	5.3	high	0	3	0
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine	1	benzoxazole		2021	2021	3.0	low	0	0	1
pha 793887	3	piperidinecarboxamide		2017	2020	5.3	high	0	3	0
abt-348	1			2011	2011	13.0	medium	0	1	0
gsk 2334470	1	indazoles		2019	2019	5.0	low	0	1	0
ml228 probe	3	1,2,4-triazines; biphenyls; pyridines; secondary amino compound	hypoxia-inducible factor pathway activator	2017	2020	5.3	high	0	3	0
pf-03882845	3			2017	2020	5.3	high	0	3	0
jq1 compound	3	carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer	2017	2020	5.3	low	0	3	0
pf-04620110	3			2017	2020	5.3	medium	0	3	0
gsk525762a	3	benzodiazepine		2017	2020	5.3	low	0	3	0
birinapant	1	dipeptide		2019	2019	5.0	low	0	1	0
torin 1	3	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor	2017	2020	5.3	medium	0	3	0
abt-199	3	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	2017	2020	5.3	low	0	3	0
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea	3	ureas		2017	2020	5.3	medium	0	3	0
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide	3	(trifluoromethyl)benzenes		2017	2020	5.3	high	0	3	0
ncgc00242364	3	quinazolines		2017	2020	5.3	high	0	3	0
gsk1210151a	3	imidazoquinoline		2017	2020	5.3	low	0	3	0
hs-173	3			2017	2020	5.3	high	0	3	0
sr1664	3	indolecarboxamide		2017	2020	5.3	high	0	3	0
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide	3			2017	2020	5.3	high	0	3	0
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide	2	benzamides; N-acylpiperidine		2017	2020	5.5	high	0	2	0
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide	2	aminoquinoline		2017	2020	5.5	high	0	2	0
cudc-907	3			2017	2020	5.3	low	0	3	0
methacycline	1			2019	2019	5.0	low	0	1	0
methacycline monohydrochloride	2			2017	2020	5.5	low	0	2	0
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid	3	quinolines		2017	2020	5.3	high	0	3	0
agi-5198	3			2017	2020	5.3	low	0	3	0
cep-32496	3			2017	2020	5.3	medium	0	3	0
epz004777	3	N-glycosyl compound		2017	2020	5.3	low	0	3	0
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid	3	organonitrogen heterocyclic compound		2017	2020	5.3	medium	0	3	0
entecavir	3	benzamides; N-acylpiperidine		2017	2020	5.3	medium	0	3	0
gkt137831	3			2017	2020	5.3	low	0	3	0
vx-509	3			2017	2020	5.3	high	0	3	0
vx-970	4	sulfonamide		2017	2020	5.8	low	0	4	0
gs-9973	3			2017	2020	5.3	high	0	3	0
amg 925	3			2017	2020	5.3	high	0	3	0
gne-618	3			2017	2020	5.3	high	0	3	0
g007-lk	3			2017	2020	5.3	medium	0	3	0
volitinib	3			2017	2020	5.3	high	0	3	0
ML355	3	benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide	EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor	2017	2020	5.3	high	0	3	0
acp-196	3	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	2017	2020	5.3	low	0	3	0
gsk343	3	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor	2017	2020	5.3	low	0	3	0
agi-6780	3			2017	2020	5.3	medium	0	3	0
khs101	3			2017	2020	5.3	medium	0	3	0
cb-839	3			2017	2020	5.3	low	0	3	0
gsk-j4	3	organonitrogen heterocyclic compound		2017	2020	5.3	low	0	3	0
pf-06424439	3			2017	2020	5.3	high	0	3	0
etp-46464	3			2017	2020	5.3	high	0	3	0
onc201	3			2017	2020	5.3	low	0	3	0
kai407	3			2017	2020	5.3	high	0	3	0
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine	3			2017	2020	5.3	high	0	3	0
enasidenib	3	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	2017	2020	5.3	low	0	3	0
oicr-9429	3			2017	2020	5.3	medium	0	3	0
lly-507	3			2017	2020	5.3	medium	0	3	0
at 9283	3			2017	2020	5.3	medium	0	3	0
akt-i-1,2 compound	1			2010	2010	14.0	low	1	0	0
chir 258	1			2011	2011	13.0	low	0	1	0
r 1530	1			2011	2011	13.0	medium	0	1	0
hypoxanthine	3	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite	2017	2020	5.3	low	0	3	0
clozapine	3	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic	2017	2020	5.3	low	0	3	0
1-hydroxyphenazine	3	phenazines		2017	2020	5.3	low	0	3	0
ro 24-7429	3	benzodiazepine		2017	2020	5.3	medium	0	3	0
nintedanib	3			2017	2020	5.3	low	0	3	0
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide	3	catechols; hydrazide; hydrazone; naphthols	EC 3.6.5.5 (dynamin GTPase) inhibitor	2017	2020	5.3	high	0	3	0
ver 52296	3	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor	2017	2020	5.3	low	0	3	0
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile	1	hydroxyindoles; morpholines; nitrile; pyridines; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; tau aggregation inhibitor	2011	2011	13.0	medium	0	1	0
rvx 208	3			2017	2020	5.3	low	0	3	0
bmn 673	3			2017	2020	5.3	low	0	3	0
pp242	1	aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine	antineoplastic agent; mTOR inhibitor	2008	2008	16.0	low	1	0	0

Condition	Studies	First Year	Last Year	Average Age	Relationship Strength	2010's	post-2020
Cancer of Liver	1	2021	2021	3.0	medium	0	1
Carcinoma, Hepatocellular	1	2021	2021	3.0	medium	0	1
Congenital Zika Syndrome	1	2020	2020	4.0	medium	1	0
Disease Models, Animal	1	2020	2020	4.0	medium	1	0
Hepatocellular Carcinoma	1	2021	2021	3.0	medium	0	1
Liver Neoplasms	1	2021	2021	3.0	medium	0	1
Zika Virus Infection	1	2020	2020	4.0	medium	1	0

Bioavailability (2)

Article	Year
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, , Volume: 96, Issue:5	2019
Highly predictive and interpretable models for PAMPA permeability. Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3	2017