osu 03012 profile

OSU 03012: a PDK-1 inhibitor; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	10027278
CHEMBL ID	1650595
CHEBI ID	131196
SCHEMBL ID	570472
MeSH ID	M0485490

Synonym
HY-10547
ar-12 ,
2-amino-n-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
osu-03012 ,
CHEMBL1650595 ,
pdk1 inhibitor ar-12
osu 03012
2-amino-n-(4-(5-(phenanthren-2-yl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)phenyl)acetamide
us8741944, 70
bdbm50430630
osu03012
BCP9001039
742112-33-0
BCPP000134
BRD-K90497590-001-02-6
NCGC00346490-01
CS-0151
S1106
2-amino-n-[4-[5-(2-phenanthrenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl]acetamide
SCHEMBL570472
gtpl8005
smr004701278
MLS006010170
1,2-ethanediamine, n-(4-(5-(2-phenanthrenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)phenyl)-
n-(4-(5-(2-phenanthryl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)phenyl)ethane-1,2-diamine
ex3o2q61uv ,
ar 12
unii-ex3o2q61uv
CHEBI:131196
n-{4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}glycinamide
DTXSID50225206
AKOS025117573
2-amino-n-[4-[5-(2-phenanthryl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
AC-30302
osu-03012 (ar-12)
EX-A253
HMS3654O21
2-amino-n-{4-[5-(2-phenanthrenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]-phenyl} acetamide
2-amino-n-{4-[5-(2-phenanthryl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}acetamide
mfcd12912272
NCGC00346490-05
SW219927-1
m4j ,
FT-0721533
AS-19550
BCP01835
Q15425297
SB16557
HMS3750G15
CCG-269335
A25444
ar-12 (osu-03012)
nsc-756657
nsc756657
yulucecvqocqfq-uhfffaoysa-n

Excerpt	Reference	Relevance
"The present studies examined the toxic interaction between the non-coxib celecoxib derivative OSU-03012 and phosphodiesterase 5 (PDE5) inhibitors, and also determined the roles of endoplasmic reticulum stress response regulators in cell survival."	( Regulation of OSU-03012 toxicity by ER stress proteins and ER stress-inducing drugs. Booth, L; Cruickshanks, N; Dent, P; Grant, S; Poklepovic, A; Roberts, JL, 2014)	0.4

Excerpt	Reference	Relevance
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."	( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)	0.51

Role	Description
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
antineoplastic agent	A substance that inhibits or prevents the proliferation of neoplasms.
apoptosis inducer	Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
pyrazoles
phenanthrenes	Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof.
organofluorine compound	An organofluorine compound is a compound containing at least one carbon-fluorine bond.
glycine derivative	A proteinogenic amino acid derivative resulting from reaction of glycine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
aromatic amide	An amide in which the amide linkage is bonded directly to an aromatic system.
antibiotic antifungal drug	Any antibiotic antifungal agent used to treat fungal infections in humans or animals.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Fumarate hydratase	Homo sapiens (human)	Potency	0.0526	0.0030	8.7949	48.0869	AID1347053
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	18.9991	0.0123	7.9835	43.2770	AID1645841
EWS/FLI fusion protein	Homo sapiens (human)	Potency	16.1733	0.0013	10.1577	42.8575	AID1259252; AID1259253; AID1259255; AID1259256
G	Vesicular stomatitis virus	Potency	4.7724	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2D6	Homo sapiens (human)	Potency	15.0916	0.0010	8.3798	61.1304	AID1645840
polyprotein	Zika virus	Potency	0.0526	0.0030	8.7949	48.0869	AID1347053
Interferon beta	Homo sapiens (human)	Potency	4.7724	0.0033	9.1582	39.8107	AID1645842
HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)	Potency	4.7724	0.0123	8.9648	39.8107	AID1645842
Inositol hexakisphosphate kinase 1	Homo sapiens (human)	Potency	4.7724	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2C9, partial	Homo sapiens (human)	Potency	4.7724	0.0123	8.9648	39.8107	AID1645842
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)	IC50 (µMol)	5.0000	0.0025	1.4513	9.0000	AID729486
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
intracellular signal transduction	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
type B pancreatic cell development	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
protein phosphorylation	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
negative regulation of protein kinase activity	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
hyperosmotic response	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
epidermal growth factor receptor signaling pathway	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
insulin receptor signaling pathway	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
positive regulation of phospholipase activity	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
negative regulation of cardiac muscle cell apoptotic process	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
cell migration	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
peptidyl-threonine phosphorylation	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
calcium-mediated signaling	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
actin cytoskeleton organization	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathway	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
T cell costimulation	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
activation of protein kinase B activity	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
cellular response to insulin stimulus	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
negative regulation of toll-like receptor signaling pathway	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
regulation of canonical NF-kappaB signal transduction	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
regulation of mast cell degranulation	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
positive regulation of blood vessel endothelial cell migration	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
positive regulation of angiogenesis	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
protein autophosphorylation	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
insulin-like growth factor receptor signaling pathway	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
positive regulation of release of sequestered calcium ion into cytosol	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
cellular response to epidermal growth factor stimulus	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
extrinsic apoptotic signaling pathway	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
positive regulation of protein localization to plasma membrane	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
positive regulation of sprouting angiogenesis	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
positive regulation of vascular endothelial cell proliferation	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
negative regulation of endothelial cell apoptotic process	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
peptidyl-serine phosphorylation	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
intracellular signal transduction	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell activation involved in immune response	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to virus	Interferon beta	Homo sapiens (human)
positive regulation of autophagy	Interferon beta	Homo sapiens (human)
cytokine-mediated signaling pathway	Interferon beta	Homo sapiens (human)
natural killer cell activation	Interferon beta	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT protein	Interferon beta	Homo sapiens (human)
cellular response to interferon-beta	Interferon beta	Homo sapiens (human)
B cell proliferation	Interferon beta	Homo sapiens (human)
negative regulation of viral genome replication	Interferon beta	Homo sapiens (human)
innate immune response	Interferon beta	Homo sapiens (human)
positive regulation of innate immune response	Interferon beta	Homo sapiens (human)
regulation of MHC class I biosynthetic process	Interferon beta	Homo sapiens (human)
negative regulation of T cell differentiation	Interferon beta	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Interferon beta	Homo sapiens (human)
defense response to virus	Interferon beta	Homo sapiens (human)
type I interferon-mediated signaling pathway	Interferon beta	Homo sapiens (human)
neuron cellular homeostasis	Interferon beta	Homo sapiens (human)
cellular response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
cellular response to virus	Interferon beta	Homo sapiens (human)
negative regulation of Lewy body formation	Interferon beta	Homo sapiens (human)
negative regulation of T-helper 2 cell cytokine production	Interferon beta	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell differentiation	Interferon beta	Homo sapiens (human)
natural killer cell activation involved in immune response	Interferon beta	Homo sapiens (human)
adaptive immune response	Interferon beta	Homo sapiens (human)
T cell activation involved in immune response	Interferon beta	Homo sapiens (human)
humoral immune response	Interferon beta	Homo sapiens (human)
positive regulation of T cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
adaptive immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of T cell anergy	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
defense response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
detection of bacterium	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-12 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-6 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protection from natural killer cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
innate immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of dendritic cell differentiation	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class Ib	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
inositol phosphate metabolic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
negative regulation of cold-induced thermogenesis	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
protein serine/threonine kinase activity	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
3-phosphoinositide-dependent protein kinase activity	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
protein binding	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
ATP binding	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
phospholipase activator activity	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
phospholipase binding	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
protein serine kinase activity	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
cytokine activity	Interferon beta	Homo sapiens (human)
cytokine receptor binding	Interferon beta	Homo sapiens (human)
type I interferon receptor binding	Interferon beta	Homo sapiens (human)
protein binding	Interferon beta	Homo sapiens (human)
chloramphenicol O-acetyltransferase activity	Interferon beta	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
signaling receptor binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
peptide antigen binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein-folding chaperone binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
inositol-1,3,4,5,6-pentakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol heptakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
protein binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
ATP binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 1-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 3-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
nucleus	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
cytoplasm	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
cytosol	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
plasma membrane	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
focal adhesion	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
postsynaptic density	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
cytoplasmic vesicle	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
cell projection	3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)
extracellular space	Interferon beta	Homo sapiens (human)
extracellular region	Interferon beta	Homo sapiens (human)
Golgi membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
endoplasmic reticulum	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
Golgi apparatus	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
cell surface	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
ER to Golgi transport vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
secretory granule membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
phagocytic vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
early endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
recycling endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular exosome	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
lumenal side of endoplasmic reticulum membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
MHC class I protein complex	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular space	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
external side of plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
fibrillar center	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytosol	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleus	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (133)

Assay ID	Title	Year	Journal	Article
AID562254	Induction of autophagy in mouse RAW264.7 cells assessed as LC3-positive puncta with diameter greater than 1 uM in cytoplasm at 1 uM by immunofluorescence microscopic analysis	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1815444	Cytotoxicity against human NCI-H82 cells at 30 uM assessed as cell proliferation rate measured after 72 hrs by MTT assay relative to control	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID562423	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 at 1 to 5 uM after 480 mins	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID562427	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse RAW264.7 cells transfected with shRNA assessed as reduction of Beclin-1 expression at 1 uM after 2 hrs by immunoblotting relative to control	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID562415	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse RAW264.7 cells assessed as reduction of bacterial survival at 1 uM after 8 hrs relative to control	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID562434	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in BALB/c mouse assessed as reduction of liver bacterial load at 2.5 mg/kg, administered intragastrically after 24 hrs of post infection qd for 4 days measured on d	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1599338	Antiviral activity against DENV1 after 48 hrs by qRT-PCR analysis	2019	European journal of medicinal chemistry, Aug-15, Volume: 176	Recent update on anti-dengue drug discovery.
AID1815415	Cytotoxicity against human HCT-116 cells at 30 uM assessed as cell proliferation rate measured after 72 hrs by MTT assay relative to control	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID562420	Cytotoxicity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse RAW264.7 cells assessed as cell viability at 1 uM after 24 hrs by MTT assay	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1875997	Antiviral activity against Luc-tagged NiV infected in HEK293T cells assessed as inhibition of viral replication	2022	Journal of medicinal chemistry, 01-27, Volume: 65, Issue:2	Recent Developments in the Use of Kinase Inhibitors for Management of Viral Infections.
AID562435	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in BALB/c mouse assessed as reduction of liver bacterial load at 5 mg/kg, administered intragastrically after 24 hrs of post infection qd for 4 days measured on day	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1815438	Cytotoxicity against human 6647 cells measured after 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID1599341	Antiviral activity against DENV4 after 48 hrs by qRT-PCR analysis	2019	European journal of medicinal chemistry, Aug-15, Volume: 176	Recent update on anti-dengue drug discovery.
AID562430	Inhibition of Akt phosphorylation in mouse RAW264.7 cells infected with Salmonella enterica serovar Typhimurium ATCC 14028 assessed as decrease of p-308Thr-Akt level after 8 hrs by Western blotting	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1875994	Antiviral activity against ZIKV-PRVABC59 infected in human Huh-7 cells measured after 24 hrs	2022	Journal of medicinal chemistry, 01-27, Volume: 65, Issue:2	Recent Developments in the Use of Kinase Inhibitors for Management of Viral Infections.
AID562422	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in human TPA-differentiated THP1 cells	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1875996	Antiviral activity against LASV in 1 hr pretreated human A549 cells measured after 48 hrs	2022	Journal of medicinal chemistry, 01-27, Volume: 65, Issue:2	Recent Developments in the Use of Kinase Inhibitors for Management of Viral Infections.
AID562432	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse RAW264.7 cells transfected with HA-tagged CA-Akt1 assessed as inhibition of intracellular bacterial survival at 1 uM after 2 hrs	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1815416	Cytotoxicity against human PC-3 cells at 30 uM assessed as cell proliferation rate measured after 72 hrs by MTT assay relative to control	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID1599340	Antiviral activity against DENV3 after 48 hrs by qRT-PCR analysis	2019	European journal of medicinal chemistry, Aug-15, Volume: 176	Recent update on anti-dengue drug discovery.
AID562433	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse RAW264.7 cells transfected with HA-tagged CA-Akt1 assessed as inhibition of intracellular bacterial survival at 1 uM after 8 hrs	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID562436	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in BALB/c mouse assessed as reduction of spleen bacterial load at 2.5 mg/kg, administered intragastrically after 24 hrs of post infection qd for 4 days measured on	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1815436	Cytotoxicity against human TC-32 cells measured after 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID1875998	Antiviral activity against GFP-tagged EBOV infected in human Huh-7 cells assessed as inhibition of viral replication	2022	Journal of medicinal chemistry, 01-27, Volume: 65, Issue:2	Recent Developments in the Use of Kinase Inhibitors for Management of Viral Infections.
AID562431	Inhibition of Akt phosphorylation in mouse RAW264.7 cells infected with Salmonella enterica serovar Typhimurium ATCC 14028 assessed as decrease of phosphorylated GSK3-beta level at 1 uM after 8 hrs by Western blotting	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1599339	Antiviral activity against DENV2 after 48 hrs by qRT-PCR analysis	2019	European journal of medicinal chemistry, Aug-15, Volume: 176	Recent update on anti-dengue drug discovery.
AID1876155	Antiviral activity against Luc-tagged NiV	2022	Journal of medicinal chemistry, 01-27, Volume: 65, Issue:2	Recent Developments in the Use of Kinase Inhibitors for Management of Viral Infections.
AID562438	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in BALB/c mouse assessed as increase of host survival days at 2.5 mg/kg, po administered after 24 hrs of post infection qd for 4 days relative to control	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1815448	Cytotoxicity against human 6647 cells at 30 uM assessed as cell proliferation rate measured after 72 hrs by MTT assay relative to control	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID1815440	Cytotoxicity against human A673 cells measured after 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID562256	Cytotoxicity against mouse RAW264.7 cells assessed as cell viability after 24 hrs by MTT assay	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID562428	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse RAW264.7 cells transfected with shRNA assessed as reduction of Atg7 expression at 1 uM after 2 hrs by immunoblotting relative to control	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1876111	Cytotoxicity against human Huh-7 cells	2022	Journal of medicinal chemistry, 01-27, Volume: 65, Issue:2	Recent Developments in the Use of Kinase Inhibitors for Management of Viral Infections.
AID729486	Inhibition of recombinant PDK1 (unknown origin) using RPRAATF peptide as substrate assessed as substrate phosphorylation by scintillation counting analysis in presence of [gamma-32P]ATP	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Selective 3-phosphoinositide-dependent kinase 1 (PDK1) inhibitors: dissecting the function and pharmacology of PDK1.
AID562417	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse RAW264.7 cells assessed as inhibition of intracellular bacterial growth at 1 uM after 4 hrs	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID562418	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse RAW264.7 cells assessed as inhibition of intracellular bacterial growth at 1 uM after 8 hrs	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1876115	Antiviral activity against GFP-tagged EBOV	2022	Journal of medicinal chemistry, 01-27, Volume: 65, Issue:2	Recent Developments in the Use of Kinase Inhibitors for Management of Viral Infections.
AID1875995	Antiviral activity against ZIKV-PRVABC59 infected in Neuronal cell line measured after 24 hrs	2022	Journal of medicinal chemistry, 01-27, Volume: 65, Issue:2	Recent Developments in the Use of Kinase Inhibitors for Management of Viral Infections.
AID1815435	Cytotoxicity against human REC1 cells measured after 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID1815429	Cytotoxicity against human 786-0 cells measured after 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID1815446	Cytotoxicity against human TC-32 cells at 30 uM assessed as cell proliferation rate measured after 72 hrs by MTT assay relative to control	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID562421	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse J774.1 cells	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1815431	Cytotoxicity against human PC-3 cells measured after 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID671466	Antibacterial activity against Staphylococcus epidermidis ATCC 35984 after 24 hrs by broth microdilution method	2012	Bioorganic & medicinal chemistry, Aug-01, Volume: 20, Issue:15	Development of novel antibacterial agents against methicillin-resistant Staphylococcus aureus.
AID1815450	Cytotoxicity against human A673 cells at 30 uM assessed as cell proliferation rate measured after 72 hrs by MTT assay relative to control	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID1852800	Cytotoxicity against mouse RAW264.7 cells assessed as reduction in number of cells by DAPI staining based high-content image analysis	2022	RSC medicinal chemistry, Nov-16, Volume: 13, Issue:11	Discovery of antipsychotic loxapine derivatives against intracellular multidrug-resistant bacteria.
AID1815434	Cytotoxicity against human NCI-H82 cells measured after 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID562429	Inhibition of Akt phosphorylation in mouse RAW264.7 cells infected with Salmonella enterica serovar Typhimurium ATCC 14028 assessed as decrease of p-473Ser-Akt level after 8 hrs by Western blotting	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID562255	Cytotoxicity against mouse RAW264.7 cells assessed as cell viability at 1 uM after 24 hrs by MTT assay	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID562416	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse RAW264.7 cells assessed as reduction in bacterial load at 1 uM after 8 hrs by immunofluorescent staining	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1815433	Cytotoxicity against human NCI-H69 cells measured after 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID562425	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse RAW264.7 cells assessed as inhibition of intracellular bacterial growth at 1 uM after 4 hrs in presence of vacuolar ATPase inhibitor bafilomycin A1	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID562424	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse RAW264.7 cells assessed as reduction of bacterial count at 1 uM pretreated 30 mins before infection measured after 1 hr	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1875999	Antiviral activity against GFP-tagged MARV infected in human Huh-7 cells assessed as inhibition of viral replication	2022	Journal of medicinal chemistry, 01-27, Volume: 65, Issue:2	Recent Developments in the Use of Kinase Inhibitors for Management of Viral Infections.
AID1815427	Cytotoxicity against human MCF7 cells measured after 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID1815447	Cytotoxicity against human SK-N-MC cells at 30 uM assessed as cell proliferation rate measured after 72 hrs by MTT assay relative to control	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID1876003	Antiviral activity against ZIKV	2022	Journal of medicinal chemistry, 01-27, Volume: 65, Issue:2	Recent Developments in the Use of Kinase Inhibitors for Management of Viral Infections.
AID562437	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in BALB/c mouse assessed as reduction of spleen bacterial load at 5 mg/kg, administered intragastrically after 24 hrs of post infection qd for 4 days measured on da	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1815442	Cytotoxicity against human CAKI-1 cells at 30 uM assessed as cell proliferation rate measured after 72 hrs by MTT assay relative to control	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID562419	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse RAW264.7 cells assessed as inhibition of intracellular bacterial growth after 8 hrs	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID671468	Selectivity ratio of IC50 for human HT-29 cells to MIC for Staphylococcus aureus ATCC 29213	2012	Bioorganic & medicinal chemistry, Aug-01, Volume: 20, Issue:15	Development of novel antibacterial agents against methicillin-resistant Staphylococcus aureus.
AID1815445	Cytotoxicity against human REC1 cells at 30 uM assessed as cell proliferation rate measured after 72 hrs by MTT assay relative to control	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID1876116	Antiviral activity against GFP-tagged MARV	2022	Journal of medicinal chemistry, 01-27, Volume: 65, Issue:2	Recent Developments in the Use of Kinase Inhibitors for Management of Viral Infections.
AID1815449	Cytotoxicity against human TC71 cells at 30 uM assessed as cell proliferation rate measured after 72 hrs by MTT assay relative to control	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID562414	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse RAW264.7 cells assessed as reduction of bacterial survival at 1 uM after 2 hrs relative to control	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1815414	Cytotoxicity against human NCI-H69 cells at 30 uM assessed as cell proliferation rate measured after 72 hrs by MTT assay relative to control	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID1815432	Cytotoxicity against human HCT-116 cells measured after 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID671465	Antibacterial activity against Staphylococcus aureus ATCC 29213 after 24 hrs by broth microdilution method	2012	Bioorganic & medicinal chemistry, Aug-01, Volume: 20, Issue:15	Development of novel antibacterial agents against methicillin-resistant Staphylococcus aureus.
AID1815428	Cytotoxicity against human CAKI-1 cells measured after 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID1815439	Cytotoxicity against human TC71 cells measured after 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID671467	Antiproliferative activity against human HT-29 cells after 24 hrs by MTT assay	2012	Bioorganic & medicinal chemistry, Aug-01, Volume: 20, Issue:15	Development of novel antibacterial agents against methicillin-resistant Staphylococcus aureus.
AID1815437	Cytotoxicity against human SK-N-MC cells measured after 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID1815443	Cytotoxicity against human 786-0 cells at 30 uM assessed as cell proliferation rate measured after 72 hrs by MTT assay relative to control	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID562253	Induction of autophagy in mouse RAW264.7 cells assessed as increase of LC3 punctum formation at 1 uM by immunofluorescence microscopic analysis	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1815430	Cytotoxicity against human IGROV-1 cells measured after 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID562257	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse RAW264.7 cells assessed as colocalization of organism with autophagosomes at 1 uM after 1 hr by immunofluorescence microscopic analysis relative to control	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1852799	Antibacterial activity against intracellular multidrug-resistant Salmonella typhimurium ATCC14028 infected in mouse RAW264.7 cells assessed as reduction in intracellular bacterial survival level by RFP staining based high-content image analysis	2022	RSC medicinal chemistry, Nov-16, Volume: 13, Issue:11	Discovery of antipsychotic loxapine derivatives against intracellular multidrug-resistant bacteria.
AID1815417	Cytotoxicity against human IGROV-1 cells at 30 uM assessed as cell proliferation rate measured after 72 hrs by MTT assay relative to control	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID1815441	Cytotoxicity against human MCF7 cells at 30 uM assessed as cell proliferation rate measured after 72 hrs by MTT assay relative to control	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
AID562426	Antimicrobial activity against Salmonella enterica serovar Typhimurium ATCC 14028 infected in mouse RAW264.7 cells assessed as inhibition of intracellular bacterial growth at 1 uM after 8 to 24 hrs in presence of gentamicin	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Eradication of intracellular Salmonella enterica serovar Typhimurium with a small-molecule, host cell-directed agent.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
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	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
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	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
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	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
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	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	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	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	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	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
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	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	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	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	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	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	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: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
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	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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	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	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	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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	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	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	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
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	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	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	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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	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: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
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	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	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	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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	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	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	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	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: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
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	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	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	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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	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	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	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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	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	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1345388	Human 3-phosphoinositide dependent protein kinase 1 (PDK1 family)	2004	Cancer research, Jun-15, Volume: 64, Issue:12	From the cyclooxygenase-2 inhibitor celecoxib to a novel class of 3-phosphoinositide-dependent protein kinase-1 inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	24 (28.24)	29.6817
2010's	45 (52.94)	24.3611
2020's	16 (18.82)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	3 (3.53%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	82 (96.47%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
adenine [no description available]	2.04	1	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
quinacrine Quinacrine: An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2.. quinacrine : A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9.	3.31	1	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
niacinamide nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.	2.13	1	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
phosphorylcholine Phosphorylcholine: Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.. phosphocholine : The phosphate of choline; and the parent compound of the phosphocholine family.	2.21	1	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
amodiaquine Amodiaquine: A 4-aminoquinoline compound with anti-inflammatory properties.. amodiaquine : A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position.	3.31	1	aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
amoxapine Amoxapine: The N-demethylated derivative of the antipsychotic agent LOXAPINE that works by blocking the reuptake of norepinephrine, serotonin, or both; it also blocks dopamine receptors. Amoxapine is used for the treatment of depression.. amoxapine : A dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position.	2.41	1	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
bisindolylmaleimide iv [no description available]	2.41	1	indoles; maleimides
celecoxib [no description available]	5.56	12	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
chloroquine Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.. chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.	2.05	1	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
ciprofloxacin Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.. ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.	2.41	1	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
fluconazole Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS.. fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.	2.51	2	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
fluorouracil Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.	2.03	1	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.. fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.	3.31	1	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
gentamicin Gentamicins: A complex of closely related aminoglycosides obtained from MICROMONOSPORA purpurea and related species. They are broad-spectrum antibiotics, but may cause ear and kidney damage. They act to inhibit PROTEIN BIOSYNTHESIS.	2.84	3
glyburide Glyburide: An antidiabetic sulfonylurea derivative with actions like those of chlorpropamide. glyburide : An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group.	2.05	1	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
miltefosine miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin. miltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine.	2.21	1	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
hydroxychloroquine Hydroxychloroquine: A chemotherapeutic agent that acts against erythrocytic forms of malarial parasites. Hydroxychloroquine appears to concentrate in food vacuoles of affected protozoa. It inhibits plasmodial heme polymerase. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p970). hydroxychloroquine : An aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used as the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions.	3.31	1	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug
leflunomide Leflunomide: An isoxazole derivative that inhibits dihydroorotate dehydrogenase, the fourth enzyme in the pyrimidine biosynthetic pathway. It is used an immunosuppressive agent in the treatment of RHEUMATOID ARTHRITIS and PSORIATIC ARTHRITIS.. leflunomide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide.	2.41	1	(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
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source	3.01	4	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
niclosamide Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48). niclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections.	3.31	1	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
olomoucine olomoucine: inhibits protein P34CDC2. olomoucine : A 9H-purine that is substituted by a (2-hydroxyethyl)nitrilo, benzylnitrilo and a methyl group at positions 2,6 and 9, respectively. It is a cyclin-dependent kinase inhibitor.	2.41	1	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
prochlorperazine Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612). prochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position.	3.31	1	N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines	alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic
salmeterol xinafoate salmeterol : A racemate consisting of equal parts of (R)- and (S)-salmeterol. It is a potent and selective beta2-adrenoceptor agonist (EC50 = 5.3 nM). Unlike other beta2 agonists, it binds to the exo-site domain of beta2 receptors, producing a slow onset of action and prolonged activation.. 2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol : A phenol having a hydroxymethyl group at C-2 and a 1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl group at C-4; derivative of phenylethanolamine.	3.31	1	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
tyrphostin a9 [no description available]	2.41	1	alkylbenzene	geroprotector
chloramphenicol Amphenicol: Chloramphenicol and its derivatives.	2.07	1	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
uridine [no description available]	2.17	1	uridines	drug metabolite; fundamental metabolite; human metabolite
kanamycin a Kanamycin: Antibiotic complex produced by Streptomyces kanamyceticus from Japanese soil. Comprises 3 components: kanamycin A, the major component, and kanamycins B and C, the minor components.. kanamycin : Kanamycin is a naturally occurring antibiotic complex from Streptomyces kanamyceticus that consists of several components: kanamycin A, the major component (also usually designated as kanamycin), and kanamycins B, C, D and X the minor components.	2.1	1	kanamycins	bacterial metabolite
bromodeoxyuridine Bromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors.	2.04	1	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
ampicillin Ampicillin: Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic.. ampicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group.	2.07	1	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
phenformin Phenformin: A biguanide hypoglycemic agent with actions and uses similar to those of METFORMIN. Although it is generally considered to be associated with an unacceptably high incidence of lactic acidosis, often fatal, it is still available in some countries. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290). phenformin : A member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a 2-phenylethyl group. It was used as an anti-diabetic drug but was later withdrawn from the market due to potential risk of lactic acidosis.	2.41	1	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
catechin Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.	2.11	1	catechin	antioxidant; plant metabolite
quinazolines Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.. quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.	2.76	3	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
indazoles Indazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES.	2.52	2	indazole
isoxazoles Isoxazoles: Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.. isoxazole : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles.. isoxazoles : Oxazoles in which the N and O atoms are adjacent.	2.04	1	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
thiazoles [no description available]	2.03	1	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
pyrimidine pyrimidine : The parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions.	2.17	1	diazine; pyrimidines	Daphnia magna metabolite
deoxycytidine [no description available]	2.03	1	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
streptomycin [no description available]	2.57	2	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
bromocriptine Bromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion.	3.31	1	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
amikacin Amikacin: A broad-spectrum antibiotic derived from KANAMYCIN. It is reno- and oto-toxic like the other aminoglycoside antibiotics.. amikacin : An amino cyclitol glycoside that is kanamycin A acylated at the N-1 position by a 4-amino-2-hydroxybutyryl group.	2.1	1	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
mefloquine (-)-(11S,2'R)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (-)-(11S,2'R)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown.	3.31	1	[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol	antimalarial
gemcitabine gemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer.	2.03	1	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
nelfinavir Nelfinavir: A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children.. nelfinavir : An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties.	3.31	1	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
thiazolyl blue thiazolyl blue: RN & II refers to bromide. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide : The bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium.	2.03	1	organic bromide salt	colorimetric reagent; dye
betulinic acid [no description available]	3.31	1	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
baicalin [no description available]	3.31	1	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
epigallocatechin gallate epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.	2.11	1	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
7-hydroxystaurosporine [no description available]	2.48	2
honokiol [no description available]	3.31	1	biphenyls
lycorine lycorine: from bulbs of LYCORIS & other plants; RN given refers to (1 alpha,2 beta)-isomer; structure in Merck Index, 9th ed, #5444. lycorine : An indolizidine alkaloid that is 3,12-didehydrogalanthan substituted by hydroxy groups at positions and 2 and a methylenedioxy group across positions 9 and 10. Isolated from Crinum asiaticum, it has been shown to exhibit antimalarial activity.	3.31	1	indolizidine alkaloid	anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor
pacein PAcein: structure. pacein : A member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8.. orcein : A variable mixture of several compounds isolated from lichens, the eight most abundant being alpha-aminoorcein, alpha-hydroxyorcein, beta-aminoorcein, gamma-aminoorcein, beta-hydroxyorcein, gamma-hydroxyorcein, beta-aminoorceimine and beta-aminoorceimine (all are phenoxazine-based). It is used for the demonstration of elastic fibres as well as to stain the rough endoplasmic reticulum of hepatitis B infected liver cells.	3.31	1
s-ethyl glutathione [no description available]	2.04	1	oligopeptide
tadalafil [no description available]	2.51	2	benzodioxoles; pyrazinopyridoindole	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
sc 58125 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole: a COX-2 inhibitor	2.04	1	organofluorine compound; pyrazoles; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor
imatinib mesylate imatinib methanesulfonate : A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.	2.77	3	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
gefitinib [no description available]	2.52	2	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
lestaurtinib [no description available]	2.41	1	indolocarbazole
ezetimibe Ezetimibe: An azetidine derivative and ANTICHOLESTEREMIC AGENT that inhibits intestinal STEROL absorption. It is used to reduce total CHOLESTEROL; LDL CHOLESTEROL, and APOLIPOPROTEINS B in the treatment of HYPERLIPIDEMIAS.. ezetimibe : A beta-lactam that is azetidin-2-one which is substituted at 1, 3, and 4 by p-fluorophenyl, 3-(p-fluorophenyl)-3-hydroxypropyl, and 4-hydroxyphenyl groups, respectively (the 3R,3'S,4S enantiomer).	3.31	1	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
schizandrin a schizandrin A: the major lignan, 2-9%, of Schisandra plant; has hepatoprotective, antioxidant, and antineoplastic activities	3.31	1
canertinib [no description available]	2.41	1	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
cyc 202 seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.	2.41	1	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
sb 203580 [no description available]	2.41	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
erlotinib [no description available]	3.78	2	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
erlotinib hydrochloride [no description available]	2.04	1	hydrochloride; terminal acetylenic compound	antineoplastic agent; protein kinase inhibitor
lapatinib [no description available]	2.48	2	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
sorafenib [no description available]	2.61	2	(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
lupeol [no description available]	3.31	1	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory drug; plant metabolite
naringenin (S)-naringenin : The (S)-enantiomer of naringenin.	3.31	1	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
1-O-Acetyllycorine 1-acetyllycorine: has antiviral activity; structure in first source	3.31	1	alkaloid
pd 166326 PD 166326: a pyrido(2,3-d)pyrimidine src tyrosine kinase inhibitor	2.41	1
purvalanol a 6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer;	2.41	1	purvalanol
posaconazole [no description available]	3.31	1	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
l 743,872 [no description available]	2.13	1
carbenoxolone [no description available]	3.31	1
citral citral: Xref geranial: geraniol is also available; Xref neral: nerol is also available; vitamin A antagonist; oxygenated monoterpene; inhibits cytosolic dehydrogenases; structure. citral : An enal that consists of octa-2,6-dienal bearing methyl substituents at positions 3 and 7. A mixture of the two geometric isomers geranial and neral, it is the major constituent (75-85%) of oil of lemon grass, the volatile oil of Cymbopogon citratus, or of C. flexuosus. It also occurs in oils of verbena, lemon, and orange.	3.31	1	enal; monoterpenoid; polyprenal	plant metabolite; volatile oil component
s 1033 [no description available]	2.41	1	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
lanatoside c lanatoside C: RN given refers to (3beta,5beta,12beta)-isomer	3.31	1
4-(4-(4-chloro-phenyl)thiazol-2-ylamino)phenol [no description available]	2.41	1	substituted aniline
curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.	3.31	1	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
tamoxifen [no description available]	2.04	1	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
u 0126 U 0126: protein kinase kinase inhibitor; structure in first source	2.41	1	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
quinine [no description available]	3.31	1	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
hirsutine [no description available]	3.31	1
dasatinib N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source. dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).	2.41	1	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
l 663536 MK-886: orally active leukotriene biosynthesis inhibitor. 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid : A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of arachidonate 5-lipoxygenase.	2.02	1	aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes	antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist
tolcapone Tolcapone: A benzophenone and nitrophenol compound that acts as an inhibitor of CATECHOL O-METHYLTRANSFERASE, an enzyme involved in the metabolism of DOPAMINE and LEVODOPA. It is used in the treatment of PARKINSON DISEASE in patients for whom levodopa is ineffective or contraindicated.. tolcapone : Benzophenone substituted on one of the phenyl rings at C-3 and C-4 by hydroxy groups and at C-5 by a nitro group, and on the other phenyl ring by a methyl group at C-4. It is an inhibitor of catechol O-methyltransferase.	3.31	1	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
alsterpaullone alsterpaullone: structure in first source. alsterpaullone : An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole.	2.41	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
imd 0354 N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first source	2.21	1	benzamides
quercetin [no description available]	3.31	1	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
quercitrin [no description available]	3.31	1	alpha-L-rhamnoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	antileishmanial agent; antioxidant; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
genistein [no description available]	2.41	1	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
amphotericin b Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.. amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections.	2.57	2	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
caryophyllene (-)-beta-caryophyllene : A beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has S configuration while the remaining stereocentre has R configuration. It is the most commonly occurring form of beta-caryophyllene, occurring in many essential oils, particularly oil of cloves.. beta-caryophyllene : A sesquiterpene with a [7.2.0]-bicyclic structure comprising fused 9- and 4-membered rings, with a trans-ring junction, a trans-double bond between the 4- and 5-positions of the 9-membered ring, a methylidene group at position 9, and methyl groups at positions 3, 11, and 11. The most commonly occurring form is the (1R,9S)-(-)-enantiomer, which is found in many essential oils, particularly clove oil.. cannabinoid : A diverse group of pharmacologically active secondary metabolite characteristic to Cannabis plant as well as produced naturally in the body by humans and animals. Cannabinoids contain oxygen as a part of the heterocyclic ring or in the form of various functional groups. They are subdivided on the basis of their origin.	3.31	1	beta-caryophyllene	fragrance; insect attractant; metabolite; non-steroidal anti-inflammatory drug
mangostin mangostin: xanthone from rind of Garcinia mangostana Linn. fruit. alpha-mangostin : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities.	3.31	1	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
rottlerin rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1);. rottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis.	2.41	1	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
brefeldin a [no description available]	3.31	1	macrolide antibiotic	Penicillium metabolite
alvocidib alvocidib: structure given in first source. alvocidib : A synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a 3-hydroxy-1-methylpiperidin-4-yl group at position 8 and by a chlorine at the 2' position (the (-)-3S,4R stereoisomer). A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation.	2.41	1	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
peridinin peridinin: structure	3.31	1
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide [no description available]	2.41	1	pyrimidines
andrographolide [no description available]	3.31	1	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite
bosutinib 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile: a Src kinase inhibitor; structure in first source	2.41	1	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
su 11248 [no description available]	3.78	2	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
palbociclib [no description available]	2.41	1	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
vx680 [no description available]	2.1	1	N-arylpiperazine
viroxime [no description available]	2.41	1
everolimus [no description available]	2.41	1	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor
tanespimycin CP 127374: analog of herbimycin A	2.07	1	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor
pd 184352 2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first source	2.41	1	aminobenzoic acid
bibx 1382bs BIBX 1382BS: an ErbB receptor kinase inhibitor; no further information available 4/2001	2.41	1	substituted aniline
staurosporine staurosporinium : Conjugate acid of staurosporine.	2.48	2	ammonium ion derivative
cyclo(leucyl-prolyl) cyclo(leucyl-prolyl): structure in first source. cyclo(L-Leu-L-Pro) : A homodetic cyclic peptide composed from leucyl and prolyl residues.	3.31	1	dipeptide; homodetic cyclic peptide; pyrrolopyrazine	bacterial metabolite; marine metabolite
vacuolin-1 vacuolin-1: inhibits Ca2-dependent lysosomal exocytosis	2.41	1
pd 0325901 mirdametinib: has antineoplastic activity; appears to be a MEK inhibitor. PD 0325901 : A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer).	2.41	1	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
midostaurin midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.	2.41	1	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
lipid a Lipid A: Lipid A is the biologically active component of lipopolysaccharides. It shows strong endotoxic activity and exhibits immunogenic properties.. lipid A : The glycolipid moiety of bacterial lipopolysaccharide (R can be either hydrogen or a fatty acyl group).	2.21	1	dodecanoate ester; lipid A; tetradecanoate ester	Escherichia coli metabolite
tofacitinib tofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis.	2.41	1	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
bx795 BX795: structure in first source	2.41	1	ureas
pazopanib pazopanib: a protein kinase inhibitor. pazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer.	2.13	1	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
azd 6244 AZD 6244: a MEK inhibitor	2.41	1	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
a 443654 A 443654: an Akt kinase inhibitor; structure in first source	2.41	1	indoles
apilimod [no description available]	2.41	1
pik 75 PIK 75: structure in first source	2.41	1
saracatinib [no description available]	2.41	1	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
cay 10404 3-(4-methylsulfonylphenyl)-4-phenyl-5-trifluoromethylisoxazole: a cyclooxygenase-2 (Cox-2) inhibitor	2.04	1	sulfonic acid derivative
bx 517 BX 517: a phosphoinositide-dependent kinase-1 inhibitor; structure in first source	2.08	1
regorafenib [no description available]	2.41	1	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor
bi 2536 [no description available]	2.41	1
2,5-dimethylcelecoxib 2,5-dimethylcelecoxib: non-COX-2 inhibitory structural analog of celecoxib	4.12	2
crizotinib Crizotinib: A piperidine and aminopyridine derivative that acts as an inhibitor of RECEPTOR PROTEIN-TYROSINE KINASES, including ANAPLASTIC LYMPHOMA KINASE (ALK) and HEPATOCYTE GROWTH FACTOR RECEPTOR (HGFR; c-Met). It is used in the treatment of NON-SMALL CELL LUNG CANCER.. crizotinib : A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC)	2.41	1	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
lactimidomycin lactimidomycin: a glutarimide antibiotic isolated from Streptomyces amphibiosporus	3.31	1	macrolide
trametinib [no description available]	2.41	1	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
pha 767491 PHA 767491: a Cdc7 inhibitor; structure in first source	2.41	1	pyrrolopyridine
dactolisib dactolisib: antineoplastic agent that inhibits both phosphatidylinositol 3-kinase and mTOR. dactolisib : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment.	2.41	1	imidazoquinoline; nitrile; quinolines; ring assembly; ureas	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
3-(4-chlorophenyl)-adamantane-1-carboxylic acid (pyridin-4-ylmethyl)amide [no description available]	2.41	1	organochlorine compound
cytochrome c-t Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV.	2.08	1
endothelin-1 Endothelin-1: A 21-amino acid peptide produced in a variety of tissues including endothelial and vascular smooth-muscle cells, neurons and astrocytes in the central nervous system, and endometrial cells. It acts as a modulator of vasomotor tone, cell proliferation, and hormone production. (N Eng J Med 1995;333(6):356-63)	2.08	1
azd8330 [no description available]	2.41	1	pyridinecarboxamide
fedratinib fedratinib: a selective small-molecule inhibitor of JAK2	2.41	1	sulfonamide
14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene 14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene: has antineoplastic activity; also inhibits Fms-like tyrosine kinase-3; structure in first source	2.41	1
mk 5108 [no description available]	2.31	1	aromatic ether
pci 32765 ibrutinib: a Btk protein inhibitor. ibrutinib : A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies.	2.41	1	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
mk 2206 MK 2206: a protein kinase inhibitor and antineoplastic agent	2.41	1	organic heterotricyclic compound	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide: a Janus kinase 1 and Janus kinase 2 inhibitor; structure in first source. momelotinib : A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis.	2.41	1	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
incb-018424 [no description available]	2.41	1	nitrile; pyrazoles; pyrrolopyrimidine	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
fit-039 FIT-039: CDK9 inhibitor; structure in first source	2.41	1
azd2014 vistusertib: potent and selective dual mTORC1 and mTORC2 inhibitor; structure in first source	2.41	1
bay 869766 [no description available]	2.41	1
baricitinib [no description available]	2.41	1	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
4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide 4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide: a protein kinase inhibitor; structure in first source	2.41	1
colistin Colistin: Cyclic polypeptide antibiotic from Bacillus colistinus. It is composed of Polymyxins E1 and E2 (or Colistins A, B, and C) which act as detergents on cell membranes. Colistin is less toxic than Polymyxin B, but otherwise similar; the methanesulfonate is used orally.. colistin : A multi-component mixture comprising mostly of colistin A (R = Me) and B (R = H), with small amounts of colistin C and other polymyxins, produced by certain strains of Bacillus polymyxa var. colistinus. An antibiotic, it is used as its sulfate salt (for oral or topical use) or as the sodium salt of the N-methylsulfonic acid derivative (the injectable form) in the treatment of severe Gram-negative infections, partiularly those due to Pseudomonas aeruginosa.	2.21	1
sofosbuvir Sofosbuvir: A uridine monophosphate analog inhibitor of HEPATITIS C VIRUS (HCV) polymerase NS5B that is used as an ANTIVIRAL AGENT in the treatment of CHRONIC HEPATITIS C.. sofosbuvir : A nucleotide conjugate that is used in combination with ledipasvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection.	3.31	1	isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester	antiviral drug; hepatitis C protease inhibitor; prodrug
ly2784544 [no description available]	2.41	1	pyridazines
gsk 2334470 GSK 2334470: a PDK1 inhibitor; structure in first source	2.49	2	indazoles
sb 1518 [no description available]	2.41	1
dinaciclib [no description available]	2.41	1	pyrazolopyrimidine
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]-3-pyridinecarboxamide [no description available]	2.55	2	benzimidazoles
gilteritinib gilteritinib: an FLT3/AXL protein tyrosine kinase inhibitor. gilteritinib : A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation.	2.41	1	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
glpg0634 [no description available]	2.41	1
delgocitinib delgocitinib: a Janus kinase inhibitor. delgocitinib : A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted by a (3S,4R)-1-(cyanoacetyl)-3-methyl-1,6-diazaspiro[3.4]octan-6-yl group at position 4. It is a pan-Janus kinase (JAK) inhibitor and is approved for treatment of atopic dermatitis (AD) in Japan.	2.41	1	azaspiro compound; N-acylazetidine; nitrile; pyrrolopyrimidine; tertiary amino compound; tertiary carboxamide	anti-inflammatory drug; antipsoriatic; antiseborrheic; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
tatanan a tatanan A: from the rhizomes of Acorus tatarinowii Schott; structure in first source	3.31	1
incb039110 INCB039110: a JAK1 inhibitor; structure in first source	2.41	1
vx-970 berzosertib: an ATR kinase inhibitor	2.41	1	sulfonamide
ldc4297 LDC4297: a CDK7 inhibitor with antineoplastic activity; structure in first source. LDC4297 : A pyrazolotriazine that is pyrazolo[1,5-a][1,3,5]triazine substituted by a piperidin-3-yloxy group, [2-(1H-pyrazol-1-yl)benzyl]nitrilo group and an isopropyl group at positions 2, 4 and 8 respectively. It is a potent and selective CDK7 inhibitor and exhibits antiviral activity.	2.41	1	aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound	antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
lipofectamine Lipofectamine: mediates gene transfer; a polycationic lipid reagent	2.07	1
at 9283 [no description available]	2.41	1
3-methyladenine N3-methyladenine: structure in first source	2.04	1
sildenafil citrate Sildenafil Citrate: A PHOSPHODIESTERASE TYPE-5 INHIBITOR; VASODILATOR AGENT and UROLOGICAL AGENT that is used in the treatment of ERECTILE DYSFUNCTION and PRIMARY PULMONARY HYPERTENSION.. sildenafil citrate : The citrate salt of sildenafil.	2.8	3	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
ag-879 AG-879: structure given in first source	2.41	1
hesperadin [no description available]	2.41	1

Condition	Relationship Strength	Studies
Cancer of Prostate [description not available]	2.02	1
Prostatic Neoplasms Tumors or cancer of the PROSTATE.	2.02	1
Infections, Salmonella [description not available]	2.47	2
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	3.53	7
Congenital Zika Syndrome [description not available]	2.61	2
Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.	2.61	2
2019 Novel Coronavirus Disease [description not available]	2.41	1
Viral Diseases [description not available]	2.59	2
Virus Diseases A general term for diseases caused by viruses.	2.59	2
Endotoxin Shock [description not available]	2.31	1
Group A Strep Infection [description not available]	2.31	1
Shock, Septic Sepsis associated with HYPOTENSION or hypoperfusion despite adequate fluid resuscitation. Perfusion abnormalities may include but are not limited to LACTIC ACIDOSIS; OLIGURIA; or acute alteration in mental status.	2.31	1
Streptococcal Infections Infections with bacteria of the genus STREPTOCOCCUS.	2.31	1
Lung Adenocarcinoma [description not available]	4.02	9
Cancer of Lung [description not available]	3.99	10
Adenocarcinoma of Lung A carcinoma originating in the lung and the most common lung cancer type in never-smokers. Malignant cells exhibit distinct features such as glandular epithelial, or tubular morphology. Mutations in KRAS, EGFR, BRAF, and ERBB2 genes are associated with this cancer.	4.02	9
Lung Neoplasms Tumors or cancer of the LUNG.	3.99	10
Black Fever [description not available]	2.57	2
Leishmaniasis, Visceral A chronic disease caused by LEISHMANIA DONOVANI and transmitted by the bite of several sandflies of the genera Phlebotomus and Lutzomyia. It is commonly characterized by fever, chills, vomiting, anemia, hepatosplenomegaly, leukopenia, hypergammaglobulinemia, emaciation, and an earth-gray color of the skin. The disease is classified into three main types according to geographic distribution: Indian, Mediterranean (or infantile), and African.	2.57	2
Disease Exacerbation [description not available]	2.25	1
Eye Cancer, Retinoblastoma [description not available]	2.25	1
Retinoblastoma A malignant tumor arising from the nuclear layer of the retina that is the most common primary tumor of the eye in children. The tumor tends to occur in early childhood or infancy and may be present at birth. The majority are sporadic, but the condition may be transmitted as an autosomal dominant trait. Histologic features include dense cellularity, small round polygonal cells, and areas of calcification and necrosis. An abnormal pupil reflex (leukokoria); NYSTAGMUS, PATHOLOGIC; STRABISMUS; and visual loss represent common clinical characteristics of this condition. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, p2104)	2.25	1
Experimental Neoplasms [description not available]	2.58	2
Cancer of Endometrium [description not available]	2.31	1
Endometrial Neoplasms Tumors or cancer of ENDOMETRIUM, the mucous lining of the UTERUS. These neoplasms can be benign or malignant. Their classification and grading are based on the various cell types and the percent of undifferentiated cells.	2.31	1
Benign Neoplasms [description not available]	4.18	3
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	4.18	3
Break-Bone Fever [description not available]	2.55	2
Dengue An acute febrile disease transmitted by the bite of AEDES mosquitoes infected with DENGUE VIRUS. It is self-limiting and characterized by fever, myalgia, headache, and rash. SEVERE DENGUE is a more virulent form of dengue.	2.55	2
Enteric Fever [description not available]	2.17	1
Typhoid Fever An acute systemic febrile infection caused by SALMONELLA TYPHI, a serotype of SALMONELLA ENTERICA.	2.17	1
Cystic Fibrosis of Pancreas [description not available]	2.21	1
Cystic Fibrosis An autosomal recessive genetic disease of the EXOCRINE GLANDS. It is caused by mutations in the gene encoding the CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR expressed in several organs including the LUNG, the PANCREAS, the BILIARY SYSTEM, and the SWEAT GLANDS. Cystic fibrosis is characterized by epithelial secretory dysfunction associated with ductal obstruction resulting in AIRWAY OBSTRUCTION; chronic RESPIRATORY INFECTIONS; PANCREATIC INSUFFICIENCY; maldigestion; salt depletion; and HEAT PROSTRATION.	2.21	1
Cancer of Esophagus [description not available]	2.08	1
Esophageal Neoplasms Tumors or cancer of the ESOPHAGUS.	2.08	1
Breast Cancer [description not available]	3.15	5
Breast Neoplasms Tumors or cancer of the human BREAST.	3.15	5
Cancer of the Thyroid [description not available]	2.46	2
Thyroid Neoplasms Tumors or cancer of the THYROID GLAND.	2.46	2
Benign Neoplasms, Brain [description not available]	3.32	6
Brain Neoplasms Neoplasms of the intracranial components of the central nervous system, including the cerebral hemispheres, basal ganglia, hypothalamus, thalamus, brain stem, and cerebellum. Brain neoplasms are subdivided into primary (originating from brain tissue) and secondary (i.e., metastatic) forms. Primary neoplasms are subdivided into benign and malignant forms. In general, brain tumors may also be classified by age of onset, histologic type, or presenting location in the brain.	3.32	6
Neuroblastoma A common neoplasm of early childhood arising from neural crest cells in the sympathetic nervous system, and characterized by diverse clinical behavior, ranging from spontaneous remission to rapid metastatic progression and death. This tumor is the most common intraabdominal malignancy of childhood, but it may also arise from thorax, neck, or rarely occur in the central nervous system. Histologic features include uniform round cells with hyperchromatic nuclei arranged in nests and separated by fibrovascular septa. Neuroblastomas may be associated with the opsoclonus-myoclonus syndrome. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2099-2101; Curr Opin Oncol 1998 Jan;10(1):43-51)	2.1	1
Astrocytoma, Grade IV [description not available]	3.32	6
Glioblastoma A malignant form of astrocytoma histologically characterized by pleomorphism of cells, nuclear atypia, microhemorrhage, and necrosis. They may arise in any region of the central nervous system, with a predilection for the cerebral hemispheres, basal ganglia, and commissural pathways. Clinical presentation most frequently occurs in the fifth or sixth decade of life with focal neurologic signs or seizures.	3.32	6
Autism-Dementia-Ataxia-Loss of Purposeful Hand Use Syndrome [description not available]	2.1	1
Rett Syndrome An inherited neurological developmental disorder that is associated with X-LINKED INHERITANCE and may be lethal in utero to hemizygous males. The affected female is normal until the age of 6-25 months when progressive loss of voluntary control of hand movements and communication skills; ATAXIA; SEIZURES; autistic behavior; intermittent HYPERVENTILATION; and HYPERAMMONEMIA appear. (From Menkes, Textbook of Child Neurology, 5th ed, p199)	2.1	1
Salmonella Infections, Animal Infections in animals with bacteria of the genus SALMONELLA.	2.1	1
Acute Confusional Senile Dementia [description not available]	2.11	1
Bacterial Disease [description not available]	2.11	1
Alzheimer Disease A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57)	2.11	1
Bacterial Infections Infections by bacteria, general or unspecified.	2.11	1
Francisella tularensis Infection [description not available]	2.48	2
Tularemia A plague-like disease of rodents, transmissible to man. It is caused by FRANCISELLA TULARENSIS and is characterized by fever, chills, headache, backache, and weakness.	2.48	2
C gattii Infection [description not available]	2.13	1
Cryptococcosis Fungal infection caused by genus CRYPTOCOCCUS.	2.13	1
Nail Fungus [description not available]	2.15	1
Onychomycosis A fungal infection of the nail, usually caused by DERMATOPHYTES; YEASTS; or nondermatophyte MOLDS.	2.15	1
Cancer of Mouth [description not available]	2.04	1
Mouth Neoplasms Tumors or cancer of the MOUTH.	2.04	1
HPV Infection [description not available]	2.04	1
Fibroma, Shope [description not available]	2.04	1
Papillomavirus Infections Neoplasms of the skin and mucous membranes caused by papillomaviruses. They are usually benign but some have a high risk for malignant progression.	2.04	1
Hepatocellular Carcinoma [description not available]	2.04	1
Cancer of Liver [description not available]	2.04	1
Carcinoma, Hepatocellular A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested.	2.04	1
Liver Neoplasms Tumors or cancer of the LIVER.	2.04	1
Neurilemoma [description not available]	2.05	1
Acoustic Neuroma [description not available]	2.05	1
Neurilemmoma A neoplasm that arises from SCHWANN CELLS of the cranial, peripheral, and autonomic nerves. Clinically, these tumors may present as a cranial neuropathy, abdominal or soft tissue mass, intracranial lesion, or with spinal cord compression. Histologically, these tumors are encapsulated, highly vascular, and composed of a homogenous pattern of biphasic fusiform-shaped cells that may have a palisaded appearance. (From DeVita Jr et al., Cancer: Principles and Practice of Oncology, 5th ed, pp964-5)	2.05	1
Kahler Disease [description not available]	2.45	2
Multiple Myeloma A malignancy of mature PLASMA CELLS engaging in monoclonal immunoglobulin production. It is characterized by hyperglobulinemia, excess Bence-Jones proteins (free monoclonal IMMUNOGLOBULIN LIGHT CHAINS) in the urine, skeletal destruction, bone pain, and fractures. Other features include ANEMIA; HYPERCALCEMIA; and RENAL INSUFFICIENCY.	2.45	2
Cancer of Colon [description not available]	2.07	1
Colonic Neoplasms Tumors or cancer of the COLON.	2.07	1
Anoxemia [description not available]	2.08	1
Apnea, Sleep [description not available]	2.08	1
Hypoxia Sub-optimal OXYGEN levels in the ambient air of living organisms.	2.08	1
Sleep Apnea Syndromes Disorders characterized by multiple cessations of respirations during sleep that induce partial arousals and interfere with the maintenance of sleep. Sleep apnea syndromes are divided into central (see SLEEP APNEA, CENTRAL), obstructive (see SLEEP APNEA, OBSTRUCTIVE), and mixed central-obstructive types.	2.08	1
Cell Transformation, Neoplastic Cell changes manifested by escape from control mechanisms, increased growth potential, alterations in the cell surface, karyotypic abnormalities, morphological and biochemical deviations from the norm, and other attributes conferring the ability to invade, metastasize, and kill.	2.73	3
B-Cell Chronic Lymphocytic Leukemia [description not available]	2.44	2
B-Cell Lymphoma [description not available]	2.44	2
Leukemia, Lymphocytic, Chronic, B-Cell A chronic leukemia characterized by abnormal B-lymphocytes and often generalized lymphadenopathy. In patients presenting predominately with blood and bone marrow involvement it is called chronic lymphocytic leukemia (CLL); in those predominately with enlarged lymph nodes it is called small lymphocytic lymphoma. These terms represent spectrums of the same disease.	2.44	2
Lymphoma, B-Cell A group of heterogeneous lymphoid tumors generally expressing one or more B-cell antigens or representing malignant transformations of B-lymphocytes.	2.44	2
Cancer of Pancreas [description not available]	2.03	1
Pancreatic Neoplasms Tumors or cancer of the PANCREAS. Depending on the types of ISLET CELLS present in the tumors, various hormones can be secreted: GLUCAGON from PANCREATIC ALPHA CELLS; INSULIN from PANCREATIC BETA CELLS; and SOMATOSTATIN from the SOMATOSTATIN-SECRETING CELLS. Most are malignant except the insulin-producing tumors (INSULINOMA).	2.03	1
Glial Cell Tumors [description not available]	2.03	1
Glioma Benign and malignant central nervous system neoplasms derived from glial cells (i.e., astrocytes, oligodendrocytes, and ependymocytes). Astrocytes may give rise to astrocytomas (ASTROCYTOMA) or glioblastoma multiforme (see GLIOBLASTOMA). Oligodendrocytes give rise to oligodendrogliomas (OLIGODENDROGLIOMA) and ependymocytes may undergo transformation to become EPENDYMOMA; CHOROID PLEXUS NEOPLASMS; or colloid cysts of the third ventricle. (From Escourolle et al., Manual of Basic Neuropathology, 2nd ed, p21)	2.03	1
Rhabdomyosarcoma A malignant solid tumor arising from mesenchymal tissues which normally differentiate to form striated muscle. It can occur in a wide variety of sites. It is divided into four distinct types: pleomorphic, predominantly in male adults; alveolar (RHABDOMYOSARCOMA, ALVEOLAR), mainly in adolescents and young adults; embryonal (RHABDOMYOSARCOMA, EMBRYONAL), predominantly in infants and children; and botryoidal, also in young children. It is one of the most frequently occurring soft tissue sarcomas and the most common in children under 15. (From Dorland, 27th ed; Holland et al., Cancer Medicine, 3d ed, p2186; DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, pp1647-9)	2.03	1
Angiogenesis, Pathologic [description not available]	2.96	1
Carcinoma, Non-Small Cell Lung [description not available]	2.04	1
Carcinoma, Non-Small-Cell Lung A heterogeneous aggregate of at least three distinct histological types of lung cancer, including SQUAMOUS CELL CARCINOMA; ADENOCARCINOMA; and LARGE CELL CARCINOMA. They are dealt with collectively because of their shared treatment strategy.	2.04	1

osu 03012

Description

Cross-References

Synonyms (55)

Research Excerpts

Toxicity

Bioavailability

Roles (3)

Drug Classes (6)

Protein Targets (11)

Potency Measurements

Inhibition Measurements

Biological Processes (78)

Molecular Functions (23)

Ceullar Components (26)

Bioassays (133)

Research

Studies (85)

Market Indicators

Research Demand Index: 20.83

Study Types

osu 03012

Description

Cross-References

Synonyms (55)

Research Excerpts

Toxicity

Bioavailability

Roles (3)

Drug Classes (6)

Protein Targets (11)

Potency Measurements

Inhibition Measurements

Biological Processes (78)

Molecular Functions (23)

Ceullar Components (26)

Bioassays (133)

Research

Studies (85)

Market Indicators

Research Demand Index: 20.83

Study Types

Related Drugs (169)

Related Conditions (90)