at 13387 profile

(2,4-dihydroxy-5-isopropylphenyl)-(5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl)methanone: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

onalespib : A member of the class of isoindoles that is isoindole in which the amino group has been acylated by a 2,4-dihydroxy-5-isopropylbenzoyl group and in which position 5 of the isoidole moiety has been substituted by a (4-methylpiperazin-1-yl)methyl group. A second-generation Hsp90 inhibitor. [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]

ID Source	ID
PubMed CID	11955716
CHEMBL ID	1214827
CHEBI ID	140592
SCHEMBL ID	382780
MeSH ID	M0549879

Synonym
ati-13387x
CHEMBL1214827
ati13387x
at13387 ,
at 13387
CHEBI:140592
at-13387 ,
onalespibum
912999-49-6
(2,4-dihydroxy-5-isopropylphenyl){5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydro-2h-isoindol-2-yl}methanone
(2,4-dihydroxy-5-isopropylphenyl)-(5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl)methanone
onalespib
BCP9000333
HY-14463
CS-0969
BCP0726000186
NCGC00346674-01
unii-q7y33n57zz
methanone, (1,3-dihydro-5-((4-methyl-1-piperazinyl)methyl)-2h-isoindol-2-yl)(2,4-dihydroxy-5-(1-methylethyl)phenyl)-
onalespib [usan:inn]
q7y33n57zz ,
S1163
onalespib [usan]
onalespib [inn]
onalespib [who-dd]
MLS006011085
smr004702873
IFRGXKKQHBVPCQ-UHFFFAOYSA-N
(2,4-dihydroxy-5-isopropyl-phenyl)-[5-(4-methyl-piperazin-1-ylmethyl)-1,3-dihydro-isoindol-2-yl]methanone
(2,4-dihydroxy-5-isopropyl-phenyl)-[5-(4-methyl-piperazin-1-ylmethyl)-1,3-dihydro-isoindol-2-yl]-methanone
SCHEMBL382780
(2,4-dihydroxy-5-isopropylphenyl)(5-((4-methylpiperazin-1-yl)methyl)isoindolin-2-yl)methanone
onalespib (usan/inn)
D10719
bdbm50005782
AC-33014
DTXSID80238485
AKOS027338622
HMS3654O12
onalespib (at13387)
AS-74503
4-{5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1h-isoindole-2-carbonyl}-6-(propan-2-yl)benzene-1,3-diol
NCGC00346674-05
SW218138-2
(2,4-dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone;(2,4-dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone
onalespibat13387,ati13387x
[2,4-dihydroxy-5-(propan-2-yl)phenyl]{5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydro-2h-isoindol-2-yl}methanone
BCP03601
912999-49-6 (free base)
onalespibat-13387
DB06306
SB16645
CCG-264682
EX-A1798
Q27287092
A857901
nsc-763579
nsc749712
nsc763579
nsc-749712
(2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone, l-lactic acid salt
NCGC00346674-03
(2,4-dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone

Excerpt	Reference	Relevance
" Here, we investigated whether a frontline combination with an HSP90 inhibitor could delay the emergence of resistance to these inhibitors in preclinical lung cancer models."	( Emergence of resistance to tyrosine kinase inhibitors in non-small-cell lung cancer can be delayed by an upfront combination with the HSP90 inhibitor onalespib. Courtin, A; Hearn, K; Lyons, JF; Saini, HK; Smyth, T; Thompson, NT; Wallis, NG, 2016)	0.43
"The HSP90 inhibitor, onalespib, was combined with either crizotinib or erlotinib in ALK- or EGFR-activated xenograft models respectively (H2228, HCC827)."	( Emergence of resistance to tyrosine kinase inhibitors in non-small-cell lung cancer can be delayed by an upfront combination with the HSP90 inhibitor onalespib. Courtin, A; Hearn, K; Lyons, JF; Saini, HK; Smyth, T; Thompson, NT; Wallis, NG, 2016)	0.43
"Together, these preclinical data suggest that frontline combination with an HSP90 inhibitor may be a method for delaying the emergence of resistance to targeted therapies."	( Emergence of resistance to tyrosine kinase inhibitors in non-small-cell lung cancer can be delayed by an upfront combination with the HSP90 inhibitor onalespib. Courtin, A; Hearn, K; Lyons, JF; Saini, HK; Smyth, T; Thompson, NT; Wallis, NG, 2016)	0.43
" The aim of this study was therefore to evaluate the efficacy of Onalespib in combination with external beam radiotherapy in an in vitro and in vivo approach."	( The HSP90 inhibitor Onalespib exerts synergistic anti-cancer effects when combined with radiotherapy: an in vitro and in vivo approach. Abramenkovs, A; Lundsten, S; Mortensen, ACL; Nestor, M; Spiegelberg, D; Stenerlöw, B, 2020)	0.56

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

Excerpt	Relevance	Reference
" The use of longer-acting HSP90 inhibitors, such as AT13387, on less frequent dosing regimens has the potential to maintain antitumor efficacy as well as minimize systemic exposure and unwanted effects on normal tissues."	( The heat shock protein 90 inhibitor, AT13387, displays a long duration of action in vitro and in vivo in non-small cell lung cancer. Angove, H; Coyle, J; Cross, DM; Curry, J; Fazal, L; Feltell, R; Graham, B; Harada, I; Lyons, J; Reule, M; Smyth, T; Thompson, NT; Wallis, NG; Williams, B, 2012)	0.38
"The combination of onalespib plus imatinib was well tolerated but exhibited limited antitumour activity as dosed in this TKI-resistant GIST patient population."	( Dose-escalation study of a second-generation non-ansamycin HSP90 inhibitor, onalespib (AT13387), in combination with imatinib in patients with metastatic gastrointestinal stromal tumour. Agulnik, M; Corless, CL; Demetri, GD; Heinrich, MC; Keer, H; Lyons, JF; Mahadevan, D; Oganesian, A; Riedel, RF; Trent, J; von Mehren, M; Wagner, AJ; Yule, M, 2016)	0.43
"05, Panc215, A6L) in a dose-response manner, and the inhibitor in vitro effect on cell growth was evaluated."	( Heat Shock Protein 90 Inhibitor Effects on Pancreatic Cancer Cell Cultures. Eshleman, JR; Gulla, A; Kazlauskas, E; Liang, H; Matulis, D; Petrauskas, V; Strupas, K, 2021)	0.62

Role	Description
Hsp90 inhibitor	An EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90.
antineoplastic agent	A substance that inhibits or prevents the proliferation of neoplasms.
[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
resorcinols	Any benzenediol in which the two hydroxy groups are meta to one another.
benzamides
tertiary carboxamide	A carboxamide resulting from the formal condensation of a carboxylic acid with a secondary amine; formula RC(=O)NHR(1)R(2).
isoindoles
N-alkylpiperazine
[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	23.4850	0.0030	8.7949	48.0869	AID1347053
PPM1D protein	Homo sapiens (human)	Potency	0.1314	0.0052	9.4661	32.9993	AID1347411
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	17.3839	0.0123	7.9835	43.2770	AID1645841
EWS/FLI fusion protein	Homo sapiens (human)	Potency	0.3212	0.0013	10.1577	42.8575	AID1259252; AID1259253; AID1259255; AID1259256
G	Vesicular stomatitis virus	Potency	16.6526	0.0123	8.9648	39.8107	AID1645842
polyprotein	Zika virus	Potency	23.4850	0.0030	8.7949	48.0869	AID1347053
Interferon beta	Homo sapiens (human)	Potency	6.7399	0.0033	9.1582	39.8107	AID1347411; AID1645842
HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)	Potency	16.6526	0.0123	8.9648	39.8107	AID1645842
Inositol hexakisphosphate kinase 1	Homo sapiens (human)	Potency	16.6526	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2C9, partial	Homo sapiens (human)	Potency	16.6526	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)
Heat shock protein HSP 90-alpha	Homo sapiens (human)	IC50 (µMol)	0.0437	0.0004	0.6950	10.0000	AID1358853; AID1363696; AID1543588; AID1582837; AID1701874
Heat shock protein HSP 90-beta	Homo sapiens (human)	IC50 (µMol)	0.1380	0.0010	0.6836	10.0000	AID1127396; AID1127397; AID1363696; AID1582837
Endoplasmin	Homo sapiens (human)	IC50 (µMol)	0.0220	0.0220	0.1005	0.3006	AID1701879
Endoplasmin	Canis lupus familiaris (dog)	IC50 (µMol)	0.0130	0.0100	0.1482	0.5780	AID1832057
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
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)
telomere maintenance via telomerase	Heat shock protein HSP 90-alpha	Homo sapiens (human)
neuron migration	Heat shock protein HSP 90-alpha	Homo sapiens (human)
positive regulation of protein phosphorylation	Heat shock protein HSP 90-alpha	Homo sapiens (human)
activation of innate immune response	Heat shock protein HSP 90-alpha	Homo sapiens (human)
positive regulation of defense response to virus by host	Heat shock protein HSP 90-alpha	Homo sapiens (human)
skeletal muscle contraction	Heat shock protein HSP 90-alpha	Homo sapiens (human)
mitochondrial transport	Heat shock protein HSP 90-alpha	Homo sapiens (human)
response to unfolded protein	Heat shock protein HSP 90-alpha	Homo sapiens (human)
response to heat	Heat shock protein HSP 90-alpha	Homo sapiens (human)
response to cold	Heat shock protein HSP 90-alpha	Homo sapiens (human)
response to xenobiotic stimulus	Heat shock protein HSP 90-alpha	Homo sapiens (human)
response to salt stress	Heat shock protein HSP 90-alpha	Homo sapiens (human)
positive regulation of lamellipodium assembly	Heat shock protein HSP 90-alpha	Homo sapiens (human)
cardiac muscle cell apoptotic process	Heat shock protein HSP 90-alpha	Homo sapiens (human)
regulation of protein ubiquitination	Heat shock protein HSP 90-alpha	Homo sapiens (human)
positive regulation of protein polymerization	Heat shock protein HSP 90-alpha	Homo sapiens (human)
positive regulation of interferon-beta production	Heat shock protein HSP 90-alpha	Homo sapiens (human)
regulation of protein localization	Heat shock protein HSP 90-alpha	Homo sapiens (human)
protein refolding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
response to cocaine	Heat shock protein HSP 90-alpha	Homo sapiens (human)
positive regulation of protein import into nucleus	Heat shock protein HSP 90-alpha	Homo sapiens (human)
regulation of apoptotic process	Heat shock protein HSP 90-alpha	Homo sapiens (human)
regulation of protein-containing complex assembly	Heat shock protein HSP 90-alpha	Homo sapiens (human)
protein unfolding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
response to estrogen	Heat shock protein HSP 90-alpha	Homo sapiens (human)
protein insertion into mitochondrial outer membrane	Heat shock protein HSP 90-alpha	Homo sapiens (human)
positive regulation of nitric oxide biosynthetic process	Heat shock protein HSP 90-alpha	Homo sapiens (human)
positive regulation of protein catabolic process	Heat shock protein HSP 90-alpha	Homo sapiens (human)
positive regulation of cell size	Heat shock protein HSP 90-alpha	Homo sapiens (human)
response to antibiotic	Heat shock protein HSP 90-alpha	Homo sapiens (human)
protein stabilization	Heat shock protein HSP 90-alpha	Homo sapiens (human)
chaperone-mediated protein complex assembly	Heat shock protein HSP 90-alpha	Homo sapiens (human)
positive regulation of cardiac muscle contraction	Heat shock protein HSP 90-alpha	Homo sapiens (human)
chaperone-mediated autophagy	Heat shock protein HSP 90-alpha	Homo sapiens (human)
cellular response to virus	Heat shock protein HSP 90-alpha	Homo sapiens (human)
regulation of postsynaptic membrane neurotransmitter receptor levels	Heat shock protein HSP 90-alpha	Homo sapiens (human)
positive regulation of tau-protein kinase activity	Heat shock protein HSP 90-alpha	Homo sapiens (human)
telomerase holoenzyme complex assembly	Heat shock protein HSP 90-alpha	Homo sapiens (human)
cellular response to heat	Heat shock protein HSP 90-alpha	Homo sapiens (human)
protein folding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
telomere maintenance via telomerase	Heat shock protein HSP 90-beta	Homo sapiens (human)
placenta development	Heat shock protein HSP 90-beta	Homo sapiens (human)
response to unfolded protein	Heat shock protein HSP 90-beta	Homo sapiens (human)
virion attachment to host cell	Heat shock protein HSP 90-beta	Homo sapiens (human)
positive regulation of transforming growth factor beta receptor signaling pathway	Heat shock protein HSP 90-beta	Homo sapiens (human)
regulation of protein ubiquitination	Heat shock protein HSP 90-beta	Homo sapiens (human)
negative regulation of proteasomal ubiquitin-dependent protein catabolic process	Heat shock protein HSP 90-beta	Homo sapiens (human)
positive regulation of phosphoprotein phosphatase activity	Heat shock protein HSP 90-beta	Homo sapiens (human)
regulation of protein localization	Heat shock protein HSP 90-beta	Homo sapiens (human)
negative regulation of apoptotic process	Heat shock protein HSP 90-beta	Homo sapiens (human)
positive regulation of nitric oxide biosynthetic process	Heat shock protein HSP 90-beta	Homo sapiens (human)
positive regulation of cell differentiation	Heat shock protein HSP 90-beta	Homo sapiens (human)
chaperone-mediated protein complex assembly	Heat shock protein HSP 90-beta	Homo sapiens (human)
regulation of cell cycle	Heat shock protein HSP 90-beta	Homo sapiens (human)
chaperone-mediated protein folding	Heat shock protein HSP 90-beta	Homo sapiens (human)
cellular response to interleukin-4	Heat shock protein HSP 90-beta	Homo sapiens (human)
supramolecular fiber organization	Heat shock protein HSP 90-beta	Homo sapiens (human)
negative regulation of proteasomal protein catabolic process	Heat shock protein HSP 90-beta	Homo sapiens (human)
telomerase holoenzyme complex assembly	Heat shock protein HSP 90-beta	Homo sapiens (human)
positive regulation of protein localization to cell surface	Heat shock protein HSP 90-beta	Homo sapiens (human)
cellular response to heat	Heat shock protein HSP 90-beta	Homo sapiens (human)
protein folding	Heat shock protein HSP 90-beta	Homo sapiens (human)
protein stabilization	Heat shock protein HSP 90-beta	Homo sapiens (human)
actin rod assembly	Endoplasmin	Homo sapiens (human)
regulation of phosphoprotein phosphatase activity	Endoplasmin	Homo sapiens (human)
cellular response to ATP	Endoplasmin	Homo sapiens (human)
response to hypoxia	Endoplasmin	Homo sapiens (human)
protein transport	Endoplasmin	Homo sapiens (human)
retrograde protein transport, ER to cytosol	Endoplasmin	Homo sapiens (human)
protein folding in endoplasmic reticulum	Endoplasmin	Homo sapiens (human)
response to endoplasmic reticulum stress	Endoplasmin	Homo sapiens (human)
ERAD pathway	Endoplasmin	Homo sapiens (human)
negative regulation of apoptotic process	Endoplasmin	Homo sapiens (human)
sequestering of calcium ion	Endoplasmin	Homo sapiens (human)
cellular response to manganese ion	Endoplasmin	Homo sapiens (human)
protein folding	Endoplasmin	Homo sapiens (human)
ERAD pathway	Endoplasmin	Canis lupus familiaris (dog)
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
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)
UTP binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
CTP binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
RNA binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
mRNA binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
protein binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
ATP binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
GTP binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
ATP hydrolysis activity	Heat shock protein HSP 90-alpha	Homo sapiens (human)
sulfonylurea receptor binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
protein phosphatase binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
MHC class II protein complex binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
nitric-oxide synthase regulator activity	Heat shock protein HSP 90-alpha	Homo sapiens (human)
TPR domain binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
ubiquitin protein ligase binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
dATP binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
identical protein binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
protein homodimerization activity	Heat shock protein HSP 90-alpha	Homo sapiens (human)
histone deacetylase binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
transmembrane transporter binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
tau protein binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
GTPase binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
Rho GDP-dissociation inhibitor binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
DNA polymerase binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
scaffold protein binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
disordered domain specific binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
ATP-dependent protein folding chaperone	Heat shock protein HSP 90-alpha	Homo sapiens (human)
protein tyrosine kinase binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
unfolded protein binding	Heat shock protein HSP 90-alpha	Homo sapiens (human)
RNA binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
double-stranded RNA binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
protein binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
ATP binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
ATP hydrolysis activity	Heat shock protein HSP 90-beta	Homo sapiens (human)
protein kinase regulator activity	Heat shock protein HSP 90-beta	Homo sapiens (human)
kinase binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
protein kinase binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
MHC class II protein complex binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
nitric-oxide synthase regulator activity	Heat shock protein HSP 90-beta	Homo sapiens (human)
TPR domain binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
heat shock protein binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
ubiquitin protein ligase binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
peptide binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
identical protein binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
protein homodimerization activity	Heat shock protein HSP 90-beta	Homo sapiens (human)
histone deacetylase binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
ATP-dependent protein binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
protein folding chaperone	Heat shock protein HSP 90-beta	Homo sapiens (human)
cadherin binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
protein dimerization activity	Heat shock protein HSP 90-beta	Homo sapiens (human)
tau protein binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
DNA polymerase binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
disordered domain specific binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
ATP-dependent protein folding chaperone	Heat shock protein HSP 90-beta	Homo sapiens (human)
receptor ligand inhibitor activity	Heat shock protein HSP 90-beta	Homo sapiens (human)
histone methyltransferase binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
unfolded protein binding	Heat shock protein HSP 90-beta	Homo sapiens (human)
RNA binding	Endoplasmin	Homo sapiens (human)
calcium ion binding	Endoplasmin	Homo sapiens (human)
protein binding	Endoplasmin	Homo sapiens (human)
ATP binding	Endoplasmin	Homo sapiens (human)
ATP hydrolysis activity	Endoplasmin	Homo sapiens (human)
protein phosphatase binding	Endoplasmin	Homo sapiens (human)
low-density lipoprotein particle receptor binding	Endoplasmin	Homo sapiens (human)
ATP-dependent protein folding chaperone	Endoplasmin	Homo sapiens (human)
unfolded protein binding	Endoplasmin	Homo sapiens (human)
ATP binding	Endoplasmin	Canis lupus familiaris (dog)
ATP hydrolysis activity	Endoplasmin	Canis lupus familiaris (dog)
ATP-dependent protein folding chaperone	Endoplasmin	Canis lupus familiaris (dog)
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
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)
extracellular region	Heat shock protein HSP 90-alpha	Homo sapiens (human)
nucleus	Heat shock protein HSP 90-alpha	Homo sapiens (human)
nucleoplasm	Heat shock protein HSP 90-alpha	Homo sapiens (human)
cytoplasm	Heat shock protein HSP 90-alpha	Homo sapiens (human)
mitochondrion	Heat shock protein HSP 90-alpha	Homo sapiens (human)
cytosol	Heat shock protein HSP 90-alpha	Homo sapiens (human)
plasma membrane	Heat shock protein HSP 90-alpha	Homo sapiens (human)
cell surface	Heat shock protein HSP 90-alpha	Homo sapiens (human)
membrane	Heat shock protein HSP 90-alpha	Homo sapiens (human)
basolateral plasma membrane	Heat shock protein HSP 90-alpha	Homo sapiens (human)
apical plasma membrane	Heat shock protein HSP 90-alpha	Homo sapiens (human)
brush border membrane	Heat shock protein HSP 90-alpha	Homo sapiens (human)
secretory granule lumen	Heat shock protein HSP 90-alpha	Homo sapiens (human)
melanosome	Heat shock protein HSP 90-alpha	Homo sapiens (human)
neuronal cell body	Heat shock protein HSP 90-alpha	Homo sapiens (human)
lysosomal lumen	Heat shock protein HSP 90-alpha	Homo sapiens (human)
dendritic growth cone	Heat shock protein HSP 90-alpha	Homo sapiens (human)
axonal growth cone	Heat shock protein HSP 90-alpha	Homo sapiens (human)
perinuclear region of cytoplasm	Heat shock protein HSP 90-alpha	Homo sapiens (human)
collagen-containing extracellular matrix	Heat shock protein HSP 90-alpha	Homo sapiens (human)
extracellular exosome	Heat shock protein HSP 90-alpha	Homo sapiens (human)
endocytic vesicle lumen	Heat shock protein HSP 90-alpha	Homo sapiens (human)
sperm mitochondrial sheath	Heat shock protein HSP 90-alpha	Homo sapiens (human)
sperm plasma membrane	Heat shock protein HSP 90-alpha	Homo sapiens (human)
ficolin-1-rich granule lumen	Heat shock protein HSP 90-alpha	Homo sapiens (human)
protein-containing complex	Heat shock protein HSP 90-alpha	Homo sapiens (human)
plasma membrane	Heat shock protein HSP 90-alpha	Homo sapiens (human)
neuronal cell body	Heat shock protein HSP 90-alpha	Homo sapiens (human)
perinuclear region of cytoplasm	Heat shock protein HSP 90-alpha	Homo sapiens (human)
myelin sheath	Heat shock protein HSP 90-alpha	Homo sapiens (human)
cytosol	Heat shock protein HSP 90-alpha	Homo sapiens (human)
nucleus	Heat shock protein HSP 90-alpha	Homo sapiens (human)
COP9 signalosome	Heat shock protein HSP 90-beta	Homo sapiens (human)
protein folding chaperone complex	Heat shock protein HSP 90-beta	Homo sapiens (human)
extracellular region	Heat shock protein HSP 90-beta	Homo sapiens (human)
nucleus	Heat shock protein HSP 90-beta	Homo sapiens (human)
nucleoplasm	Heat shock protein HSP 90-beta	Homo sapiens (human)
cytoplasm	Heat shock protein HSP 90-beta	Homo sapiens (human)
mitochondrion	Heat shock protein HSP 90-beta	Homo sapiens (human)
cytosol	Heat shock protein HSP 90-beta	Homo sapiens (human)
cell surface	Heat shock protein HSP 90-beta	Homo sapiens (human)
membrane	Heat shock protein HSP 90-beta	Homo sapiens (human)
secretory granule lumen	Heat shock protein HSP 90-beta	Homo sapiens (human)
melanosome	Heat shock protein HSP 90-beta	Homo sapiens (human)
neuronal cell body	Heat shock protein HSP 90-beta	Homo sapiens (human)
dendritic growth cone	Heat shock protein HSP 90-beta	Homo sapiens (human)
axonal growth cone	Heat shock protein HSP 90-beta	Homo sapiens (human)
perinuclear region of cytoplasm	Heat shock protein HSP 90-beta	Homo sapiens (human)
extracellular exosome	Heat shock protein HSP 90-beta	Homo sapiens (human)
dynein axonemal particle	Heat shock protein HSP 90-beta	Homo sapiens (human)
ficolin-1-rich granule lumen	Heat shock protein HSP 90-beta	Homo sapiens (human)
protein-containing complex	Heat shock protein HSP 90-beta	Homo sapiens (human)
aryl hydrocarbon receptor complex	Heat shock protein HSP 90-beta	Homo sapiens (human)
HSP90-CDC37 chaperone complex	Heat shock protein HSP 90-beta	Homo sapiens (human)
perinuclear region of cytoplasm	Heat shock protein HSP 90-beta	Homo sapiens (human)
plasma membrane	Heat shock protein HSP 90-beta	Homo sapiens (human)
cytosol	Heat shock protein HSP 90-beta	Homo sapiens (human)
extracellular region	Endoplasmin	Homo sapiens (human)
nucleus	Endoplasmin	Homo sapiens (human)
endoplasmic reticulum	Endoplasmin	Homo sapiens (human)
endoplasmic reticulum lumen	Endoplasmin	Homo sapiens (human)
endoplasmic reticulum membrane	Endoplasmin	Homo sapiens (human)
smooth endoplasmic reticulum	Endoplasmin	Homo sapiens (human)
cytosol	Endoplasmin	Homo sapiens (human)
focal adhesion	Endoplasmin	Homo sapiens (human)
membrane	Endoplasmin	Homo sapiens (human)
midbody	Endoplasmin	Homo sapiens (human)
sarcoplasmic reticulum lumen	Endoplasmin	Homo sapiens (human)
melanosome	Endoplasmin	Homo sapiens (human)
perinuclear region of cytoplasm	Endoplasmin	Homo sapiens (human)
collagen-containing extracellular matrix	Endoplasmin	Homo sapiens (human)
extracellular exosome	Endoplasmin	Homo sapiens (human)
endocytic vesicle lumen	Endoplasmin	Homo sapiens (human)
sperm plasma membrane	Endoplasmin	Homo sapiens (human)
protein-containing complex	Endoplasmin	Homo sapiens (human)
endoplasmic reticulum chaperone complex	Endoplasmin	Homo sapiens (human)
endoplasmic reticulum	Endoplasmin	Homo sapiens (human)
perinuclear region of cytoplasm	Endoplasmin	Homo sapiens (human)
sarcoplasmic reticulum lumen	Endoplasmin	Canis lupus familiaris (dog)
melanosome	Endoplasmin	Canis lupus familiaris (dog)
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 (145)

Assay ID	Title	Year	Journal	Article
AID1347412	qHTS assay to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: Counter screen cell viability and HiBit confirmation	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347414	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: Secondary screen by immunofluorescence	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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
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.
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.
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.
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.
AID1543587	Antiproliferative activity against human A549 cells after 72 hrs by MTT assay	2019	European journal of medicinal chemistry, Apr-01, Volume: 167	Design, synthesis, and biological evaluation of truncated deguelin derivatives as Hsp90 inhibitors.
AID1625318	Toxicity in iv dosed NSCLC patient dosed weekly for 3 weeks on four week cycle during phase-1 clinical trial	2016	Journal of medicinal chemistry, 06-23, Volume: 59, Issue:12	Development of Heat Shock Protein (Hsp90) Inhibitors To Combat Resistance to Tyrosine Kinase Inhibitors through Hsp90-Kinase Interactions.
AID1329806	Inhibition of FITC-geldanamycin binding to N-terminal GST-tagged Hsp90 (unknown origin) expressed in Escherichia coli at 100 uM measured after 15 mins by fluorescence polarization assay relative to control	2017	Bioorganic & medicinal chemistry, 01-01, Volume: 25, Issue:1	Optimization and bioevaluation of Cdc37-derived peptides: An insight into Hsp90-Cdc37 protein-protein interaction modulators.
AID1701890	Antiproliferative activity against human K562 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID499510	Induction of apoptosis in human HCT116 cells assessed as upregulation of Hsp70 level at 10 nM after 18 hrs by immunoblotting	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1832056	Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) at 100 uM measured after 4 hrs by fluorescent polarization assay relative to control	2021	European journal of medicinal chemistry, Nov-05, Volume: 223	Design and synthesis of Grp94 selective inhibitors based on Phe199 induced fit mechanism and their anti-inflammatory effects.
AID1543588	Inhibition of FITC-geldanamycin binding to recombinant human full-length C-terminal His-tagged HSP90alpha N-terminal domain (1 to 732 residues) expressed in Escherichia coli after 1 hr by fluorescence polarization assay	2019	European journal of medicinal chemistry, Apr-01, Volume: 167	Design, synthesis, and biological evaluation of truncated deguelin derivatives as Hsp90 inhibitors.
AID1701879	Displacement of FITC-geldanamycin from N-terminal GRP94 (unknown origin) after 30 mins by fluorescence polarization competitive binding assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID499599	Chemical stability of the compound after 48 hrs	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1363696	Inhibition of FITC-geldanamycin binding to human His-tagged HSP90alpha N-terminal domain (1 to 236 residues) expressed in Escherichia coli BL21star (DE3) after 4 hrs by FP assay relative to control	2018	Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21	Discovery of a Potent Grp94 Selective Inhibitor with Anti-Inflammatory Efficacy in a Mouse Model of Ulcerative Colitis.
AID1543585	Antiproliferative activity against human NCI-H1299 cells after 72 hrs by MTT assay	2019	European journal of medicinal chemistry, Apr-01, Volume: 167	Design, synthesis, and biological evaluation of truncated deguelin derivatives as Hsp90 inhibitors.
AID1358853	Inhibition of FITC-labeled geldanamycin binding to recombinant HSP90alpha (unknown origin) after 1 hr by fluorescence polarization assay	2018	European journal of medicinal chemistry, May-25, Volume: 152	Design, synthesis and pharmacological evaluation of ALK and Hsp90 dual inhibitors bearing resorcinol and 2,4-diaminopyrimidine motifs.
AID499503	Volume of distribution at steady state in BALB/c mouse plasma at 2 to 10 mg/kg, iv	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1701892	Cytotoxicity against human L02 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID1701874	Displacement of FITC-geldanamycin from N-terminal HSP90alpha (unknown origin) after 30 mins by fluorescence polarization competitive binding assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID499509	Induction of apoptosis in human HCT116 cells assessed as reduction of CDK4 level at 30 nM after 18 hrs by immunoblotting	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1701889	Antiproliferative activity against human HepG2 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID1832067	Inhibition of human HSP90 alpha in human HCT-116 cells assessed as degradation of AKT measured by Western blot assay	2021	European journal of medicinal chemistry, Nov-05, Volume: 223	Design and synthesis of Grp94 selective inhibitors based on Phe199 induced fit mechanism and their anti-inflammatory effects.
AID1701888	Antiproliferative activity against human A549 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID499514	Antitumor activity against human HCT116 cells xenografted in BALB/c mouse assessed as inhibition of tumor growth at 60 mg/kg, ip qd for 3 days then no dose for 3 days for four dosing cycles measured on day 21 relative to control	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1701877	Permeability of the compound at pH 7.4 by PAMPA	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID1409611	AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.	2020	Nature, 07, Volume: 583, Issue:7816	A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.
AID1363693	Inhibition of FITC-geldanamycin binding to dog GST-tagged GRP94 N41 deletion mutant (69 to 337 residues) expressed in Escherichia coli BL21star (DE3) at 100 uM after 4 hrs by FP assay relative to control	2018	Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21	Discovery of a Potent Grp94 Selective Inhibitor with Anti-Inflammatory Efficacy in a Mouse Model of Ulcerative Colitis.
AID1582837	Inhibition of recombinant full-length HSP90 ATPase activity N-terminal domain (9 to 236 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) measured after 1 hr by ADP hunter plus assay	2020	Journal of medicinal chemistry, 02-13, Volume: 63, Issue:3	Discovery and Optimization of Small Molecules Targeting the Protein-Protein Interaction of Heat Shock Protein 90 (Hsp90) and Cell Division Cycle 37 as Orally Active Inhibitors for the Treatment of Colorectal Cancer.
AID1363694	Inhibition of FITC-geldanamycin binding to dog GST-tagged GRP94 N41 deletion mutant (69 to 337 residues) expressed in Escherichia coli BL21star (DE3) after 4 hrs by GM-FITC-based FP assay	2018	Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21	Discovery of a Potent Grp94 Selective Inhibitor with Anti-Inflammatory Efficacy in a Mouse Model of Ulcerative Colitis.
AID499506	Half life in BALB/c mouse muscle at 60 mg/kg, ip	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1409608	AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).	2020	Nature, 07, Volume: 583, Issue:7816	A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.
AID499511	Ratio of drug level in blood to plasma in BALB/c mouse	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID499499	Inhibition of CYP2C19 at 10 uM	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID499489	Inhibition of human ERG expressed in HEK293 cells at 30 uM by patch clamp assay	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1543583	Antiproliferative activity against human NCI-H1299 cells assessed as inhibition of cell growth at 1 uM after 72 hrs by MTT assay relative to control	2019	European journal of medicinal chemistry, Apr-01, Volume: 167	Design, synthesis, and biological evaluation of truncated deguelin derivatives as Hsp90 inhibitors.
AID1701883	Antiproliferative activity against human SK-BR-3 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID499512	Oral bioavailability in BALB/c mouse	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1832105	Inhibition of Hsp90alpha (unknown origin) at 100 uM by fluorescent polarization assay relative to control	2021	European journal of medicinal chemistry, Nov-05, Volume: 223	Design and synthesis of Grp94 selective inhibitors based on Phe199 induced fit mechanism and their anti-inflammatory effects.
AID1127401	Antiproliferative activity against human A231 cells after 48 hrs by MTT assay	2014	European journal of medicinal chemistry, May-22, Volume: 79	Identification and optimization of novel Hsp90 inhibitors with tetrahydropyrido[4,3-d]pyrimidines core through shape-based screening.
AID1701881	Antiproliferative activity against human MDA-MB-231 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID499598	Chemical stability of the compound after 24 hrs	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID499596	Solubility of the compound in phosphate buffer at 15 mg at pH 5.5	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1625312	Cytotoxicity against imatinib-resistant human GIST48 cells assessed as decrease in cell viability after 7 days by alamar blue assay	2016	Journal of medicinal chemistry, 06-23, Volume: 59, Issue:12	Development of Heat Shock Protein (Hsp90) Inhibitors To Combat Resistance to Tyrosine Kinase Inhibitors through Hsp90-Kinase Interactions.
AID1127398	Antiproliferative activity against human SKBR3 cells after 48 hrs by MTT assay	2014	European journal of medicinal chemistry, May-22, Volume: 79	Identification and optimization of novel Hsp90 inhibitors with tetrahydropyrido[4,3-d]pyrimidines core through shape-based screening.
AID1363705	Inhibition of HSP90alpha in human PANC1 cells assessed as akt degradation at 1 uM after 36 hrs by Western blot analysis	2018	Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21	Discovery of a Potent Grp94 Selective Inhibitor with Anti-Inflammatory Efficacy in a Mouse Model of Ulcerative Colitis.
AID1543582	Antiproliferative activity against human NCI-H1299 cells assessed as inhibition of cell growth at 0.1 uM after 72 hrs by MTT assay relative to control	2019	European journal of medicinal chemistry, Apr-01, Volume: 167	Design, synthesis, and biological evaluation of truncated deguelin derivatives as Hsp90 inhibitors.
AID1409607	IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).	2020	Nature, 07, Volume: 583, Issue:7816	A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.
AID1701919	Antitumor activity against human HCT-116 cells xenografted in nude mouse assessed as reduction in relative tumor volume by measuring T/C ratio at 60 mg/kg, ip administered every other day for 16 days and monitored every 3 days	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID1363704	Inhibition of HSP90alpha in human PANC1 cells assessed as up-regulation of Hsp70 at 1 uM after 36 hrs by Western blot analysis	2018	Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21	Discovery of a Potent Grp94 Selective Inhibitor with Anti-Inflammatory Efficacy in a Mouse Model of Ulcerative Colitis.
AID1503280	Antiproliferative activity against human MCF7 cells incubated for 72 hrs by MTT assay	2017	European journal of medicinal chemistry, Dec-01, Volume: 141	Identification and optimization of novel 6-acylamino-2-aminoquinolines as potent Hsp90 C-terminal inhibitors.
AID1409613	Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.	2020	Nature, 07, Volume: 583, Issue:7816	A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.
AID1409609	Cytotoxicity of compound against Vero E6 cells by MTT assay.	2020	Nature, 07, Volume: 583, Issue:7816	A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.
AID499504	Half life in BALB/c mouse plasma at 2 to 10 mg/kg, iv	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID499600	Chemical stability of the compound after 144 hrs	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1701875	Antiproliferative activity against human HCT-116 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID499502	Clearance in BALB/c mouse plasma at 2 to 10 mg/kg, iv	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1127397	Displacement of FITC-geldanamycin from HSP90 (unknown origin) after 30 mins by fluorescence polarization assay	2014	European journal of medicinal chemistry, May-22, Volume: 79	Identification and optimization of novel Hsp90 inhibitors with tetrahydropyrido[4,3-d]pyrimidines core through shape-based screening.
AID1701886	Antiproliferative activity against human U2OS assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID1701882	Antiproliferative activity against human MDA-MB-468 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID1832057	Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization assay	2021	European journal of medicinal chemistry, Nov-05, Volume: 223	Design and synthesis of Grp94 selective inhibitors based on Phe199 induced fit mechanism and their anti-inflammatory effects.
AID1701884	Antiproliferative activity against human T47D assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID1543584	Antiproliferative activity against human NCI-H1299 cells assessed as inhibition of cell growth at 10 uM after 72 hrs by MTT assay relative to control	2019	European journal of medicinal chemistry, Apr-01, Volume: 167	Design, synthesis, and biological evaluation of truncated deguelin derivatives as Hsp90 inhibitors.
AID1127396	Inhibition of full-length HSP90 (unknown origin) expressed in Escherichia coli assessed as inhibition of ATPase activity after 3 hrs by spectrophotometric analysis	2014	European journal of medicinal chemistry, May-22, Volume: 79	Identification and optimization of novel Hsp90 inhibitors with tetrahydropyrido[4,3-d]pyrimidines core through shape-based screening.
AID1701887	Antiproliferative activity against human MKN-28 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID1127395	Inhibition of HSP90 (unknown origin)-mediated ATPase activity at 40 uM after 3 hrs by malachite green assay relative to control	2014	European journal of medicinal chemistry, May-22, Volume: 79	Identification and optimization of novel Hsp90 inhibitors with tetrahydropyrido[4,3-d]pyrimidines core through shape-based screening.
AID499601	Thermal stability of the compound at 80 degC after 24 hrs	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID499501	Protein binding in mouse plasma after 6 hrs by equilibrium dialysis method	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID499515	Solubility of the compound in acetate buffer at 15 mg at pH 5.5	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1701885	Antiproliferative activity against human BT-474 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID1543586	Antiproliferative activity against human MCF7 cells after 72 hrs by MTT assay	2019	European journal of medicinal chemistry, Apr-01, Volume: 167	Design, synthesis, and biological evaluation of truncated deguelin derivatives as Hsp90 inhibitors.
AID1701880	Selectivity ratio of IC50 for inhibition of FITC-geldanamycin binding to N-terminal GRP94 (unknown origin) to IC50 for inhibition of FITC-geldanamycin binding to N-terminal HSP90alpha (unknown origin)	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID1503281	Antiproliferative activity against human SKBR3 cells incubated for 72 hrs by MTT assay	2017	European journal of medicinal chemistry, Dec-01, Volume: 141	Identification and optimization of novel 6-acylamino-2-aminoquinolines as potent Hsp90 C-terminal inhibitors.
AID499483	Intrinsic clearance in mouse liver S9 fraction	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID499500	Protein binding in human plasma after 6 hrs by equilibrium dialysis method	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID499473	Binding affinity to Hsp90 N-terminal ATPase domain by isothermal titration calorimetry assay	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID499488	Inhibition of human ERG expressed in HEK293 cells at 3 uM by patch clamp assay	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID499513	Antitumor activity against human HCT116 cells xenografted in BALB/c mouse assessed as inhibition of tumor growth at 60 mg/kg, ip qd for 3 days then no dose for 3 days for four dosing cycles measured on day 21	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1701891	Antiproliferative activity against human MV4-11 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID499595	Solubility of the compound in phosphate buffer at 15 mg at pH 6.5	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID499505	Half life in BALB/c mouse blood at 60 mg/kg, ip	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID499486	Dissociation constant, pKa of the compound	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID499498	Inhibition of CYP2C9 at 10 uM	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID499507	Half life in human HCT116 cells xenografted BALB/c mouse tumor at 60 mg/kg, ip	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1625311	Cytotoxicity against imatinib-resistant human GIST430 cells assessed as decrease in cell viability after 7 days by alamar blue assay	2016	Journal of medicinal chemistry, 06-23, Volume: 59, Issue:12	Development of Heat Shock Protein (Hsp90) Inhibitors To Combat Resistance to Tyrosine Kinase Inhibitors through Hsp90-Kinase Interactions.
AID1127400	Antiproliferative activity against human HCT116 cells after 48 hrs by MTT assay	2014	European journal of medicinal chemistry, May-22, Volume: 79	Identification and optimization of novel Hsp90 inhibitors with tetrahydropyrido[4,3-d]pyrimidines core through shape-based screening.
AID499597	Solubility of the compound in lactate buffer at 15 mg at pH 4.2	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1582856	Inhibition of HSP90-CDC37 protein-protein interaction in human HCT116 cells up to 1 uM measured after 12 hrs by coimmunoprecipitation-based Western blot assay	2020	Journal of medicinal chemistry, 02-13, Volume: 63, Issue:3	Discovery and Optimization of Small Molecules Targeting the Protein-Protein Interaction of Heat Shock Protein 90 (Hsp90) and Cell Division Cycle 37 as Orally Active Inhibitors for the Treatment of Colorectal Cancer.
AID1832066	Inhibition of human HSP90 alpha in human HCT-116 cells assessed as upregulation of HSP70 measured by Western blot assay	2021	European journal of medicinal chemistry, Nov-05, Volume: 223	Design and synthesis of Grp94 selective inhibitors based on Phe199 induced fit mechanism and their anti-inflammatory effects.
AID1701876	Antiproliferative activity against human MCF7 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2016	Journal of medicinal chemistry, 12-08, Volume: 59, Issue:23	Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90.
AID1358854	Antiproliferative activity against human NCI-H3122 cells after 72 hrs by SRB assay	2018	European journal of medicinal chemistry, May-25, Volume: 152	Design, synthesis and pharmacological evaluation of ALK and Hsp90 dual inhibitors bearing resorcinol and 2,4-diaminopyrimidine motifs.
AID499474	Cytotoxicity against human HCT116 cells by Alamar blue assay	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID499508	Induction of apoptosis in human HCT116 cells assessed as reduction of Raf-1 level at 30 nM after 18 hrs by immunoblotting	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1127399	Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay	2014	European journal of medicinal chemistry, May-22, Volume: 79	Identification and optimization of novel Hsp90 inhibitors with tetrahydropyrido[4,3-d]pyrimidines core through shape-based screening.
AID499487	Lipophilicity, log D of the compound at pH 7.4	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
AID1728770	Anti-necroptotic activity in human HT-29 cells assessed as inhibition of TNFalpha/SM-164/Z-VAD-fmk (TSZ)-induced necroptosis by measuring increase in cell viability at 10 uM measured after 12 hrs by celltiter-glo luminescent cell viability assay	2021	European journal of medicinal chemistry, Feb-15, Volume: 212	Discovery of bardoxolone derivatives as novel orally active necroptosis 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	0 (0.00)	29.6817
2010's	37 (62.71)	24.3611
2020's	22 (37.29)	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	4 (6.78%)	5.53%
Reviews	3 (5.08%)	6.00%
Case Studies	1 (1.69%)	4.05%
Observational	0 (0.00%)	0.25%
Other	51 (86.44%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
adenine [no description available]	2.21	1	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
hydrochloric acid Hydrochloric Acid: A strong corrosive acid that is commonly used as a laboratory reagent. It is formed by dissolving hydrogen chloride in water. GASTRIC ACID is the hydrochloric acid component of GASTRIC JUICE.. hydrogen chloride : A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms.	2.41	1	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
cytosine [no description available]	2.21	1	0	aminopyrimidine; pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
astemizole Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.. astemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.	4.04	2	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
camostat camostat : A benzoate ester resulting from the formal condensation of the carboxy group of 4-guanidinobenzoic acid with the hydroxy group of 2-(dimethylamino)-2-oxoethyl (4-hydroxyphenyl)acetate. It is a potent inhibitor of the human transmembrane protease serine 2 (TMPRSS2) and its mesylate salt is currently under investigation for its effectiveness in COVID-19 patients.	4.04	2	0	benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor
carbetapentane carbetapentane: RN given refers to parent cpd	4.04	2	0	benzenes
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.	4.04	2	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
cloperastine cloperastine: RN given refers to parent cpd	4.04	2	0	diarylmethane
valproic acid Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.. valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.	4.04	2	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.	4.04	2	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
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.	4.04	2	0	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug
ifenprodil ifenprodil: NMDA receptor antagonist	4.04	2	0	piperidines
indomethacin Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.	4.04	2	0	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
loratadine Loratadine: A second-generation histamine H1 receptor antagonist used in the treatment of allergic rhinitis and urticaria. Unlike most classical antihistamines (HISTAMINE H1 ANTAGONISTS) it lacks central nervous system depressing effects such as drowsiness.. loratadine : A benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders.	4.04	2	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
metformin Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289). metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1.	4.04	2	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
minoxidil Minoxidil: A potent direct-acting peripheral vasodilator (VASODILATOR AGENTS) that reduces peripheral resistance and produces a fall in BLOOD PRESSURE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p371). minoxidil : A pyrimidine N-oxide that is pyrimidine-2,4-diamine 3-oxide substituted by a piperidin-1-yl group at position 6.	4.04	2	0	dialkylarylamine; tertiary amino compound
nafamostat nafamostat: inhibitor of trypsin, plasmin, pancreatic kallikrein, plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis; antineoplastic	4.04	2	0	benzoic acids; guanidines
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.	3.35	1	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
nimodipine Nimodipine: A calcium channel blockader with preferential cerebrovascular activity. It has marked cerebrovascular dilating effects and lowers blood pressure.. nimodipine : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.	2.31	1	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
pioglitazone Pioglitazone: A thiazolidinedione and PPAR GAMMA agonist that is used in the treatment of TYPE 2 DIABETES MELLITUS.. pioglitazone : A member of the class of thiazolidenediones that is 1,3-thiazolidine-2,4-dione substituted by a benzyl group at position 5 which in turn is substituted by a 2-(5-ethylpyridin-2-yl)ethoxy group at position 4 of the phenyl ring. It exhibits hypoglycemic activity.	4.04	2	0	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic
resorcinol resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3.	2.07	1	0	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
imatinib [no description available]	3.23	1	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
sulfaphenazole Sulfaphenazole: A sulfonilamide anti-infective agent.. sulfaphenazole : A sulfonamide that is sulfanilamide in which the sulfonamide nitrogen is substituted by a 1-phenyl-1H-pyrazol-5-yl group. It is a selective inhibitor of cytochrome P450 (CYP) 2C9 isozyme, and antibacterial agent.	2.13	1	0	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
temozolomide [no description available]	2.63	2	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
ticlopidine Ticlopidine: An effective inhibitor of platelet aggregation commonly used in the placement of STENTS in CORONARY ARTERIES.. ticlopidine : A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group.	2.13	1	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
prednisone Prednisone: A synthetic anti-inflammatory glucocorticoid derived from CORTISONE. It is biologically inert and converted to PREDNISOLONE in the liver.. prednisone : A synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid.	2.21	1	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
chloramphenicol Amphenicol: Chloramphenicol and its derivatives.	4.04	2	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
aspartic acid Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid.	2.31	1	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
tyrosine Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.	2.15	1	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
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.	4.7	4	0	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
oleanolic acid [no description available]	2.31	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
alpha-naphthoflavone alpha-naphthoflavone: inhibits P4501A1 and P4501A2; stimulates some activities of P4503A4. alpha-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14).	2.13	1	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor
pimozide Pimozide: A diphenylbutylpiperidine that is effective as an antipsychotic agent and as an alternative to HALOPERIDOL for the suppression of vocal and motor tics in patients with Tourette syndrome. Although the precise mechanism of action is unknown, blockade of postsynaptic dopamine receptors has been postulated. (From AMA Drug Evaluations Annual, 1994, p403). pimozide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which one of the nitrogens is substituted by a piperidin-4-yl group, which in turn is substituted on the nitrogen by a 4,4-bis(p-fluorophenyl)butyl group.	4.04	2	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
clemastine Clemastine: A histamine H1 antagonist used as the hydrogen fumarate in hay fever, rhinitis, allergic skin conditions, and pruritus. It causes drowsiness.. clemastine : 2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions.	4.04	2	0	monochlorobenzenes; N-alkylpyrrolidine	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
1-deoxynojirimycin 1-deoxy-nojirimycin: structure in first source. duvoglustat : An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration.	4.04	2	0	2-(hydroxymethyl)piperidine-3,4,5-triol; piperidine alkaloid	anti-HIV agent; anti-obesity agent; bacterial metabolite; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; plant metabolite
daunorubicin Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola.	4.04	2	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
ribavirin Rebetron: Rebetron is tradename	4.04	2	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
nitazoxanide nitazoxanide: a 5-nitrothiazolyl derivative used for a broad range of intestinal parasitic infections including CRYPTOSPORIDIUM and GIARDIA; it is a redox-active nitrothiazolyl-salicylamide prodrug	4.04	2	0	benzamides; carboxylic ester
captopril Captopril: A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin.. captopril : A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug.	4.04	2	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
lovastatin Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.. lovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).	4.04	2	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
rimcazole rimcazole: RN given refers to (cis)-isomer; structure given in first source	4.04	2	0	carbazoles
triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.	4.18	4	0	1,2,3-triazole
fluorodeoxyglucose f18 Fluorodeoxyglucose F18: The compound is given by intravenous injection to do POSITRON-EMISSION TOMOGRAPHY for the assessment of cerebral and myocardial glucose metabolism in various physiological or pathological states including stroke and myocardial ischemia. It is also employed for the detection of malignant tumors including those of the brain, liver, and thyroid gland. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1162)	2.13	1	0	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
echinocystic acid [no description available]	2.31	1	0	triterpenoid
brusatol brusatol: quassinoid from B. javanica; structure	2.31	1	0	triterpenoid
lekoptin (S)-verapamil : A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has S configuration.	4.04	2	0	2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
deguelin deguelin: a natural product from Mundulea sericea; RN refers to (7aS-cis)-isomer; structure given in first source. deguelin : A rotenone that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted by methoxy groups at positions 9 and 10, and by two methyl groups at position 3 (the 7aS,13aS-stereoisomer). It exists in abundant quantities in the bark, roots, and leaves of the Leguminosae family of plants and reported to exert anti-tumour effects in various cancers.	2.21	1	0	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite
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.	5.66	3	2	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
bd 1008 BD 1008: structure in first source	4.04	2	0	primary amine
vx 497 N-3-(3-(3-methoxy-4-oxazol-5-ylphenyl)ureido)benzylcarbamic acid tetrahydrofuran-3-yl ester: structure in first source	4.04	2	0
cyc 682 sapacitabine: structure in first source. sapacitabine : A nucleoside analogue resulting from the formal condensation of the carboxy group of hexadecanoic acid with the amino group of CNDAC. It is the prodrug of CNDAC and is currently in clinical development for the treatment of acute myeloid leukemia (AML).	2.21	1	0	nitrile; nucleoside analogue; secondary carboxamide	antimetabolite; antineoplastic agent; DNA synthesis inhibitor; prodrug
ethyl adenosine-5'-carboxylate ethyl adenosine-5'-carboxylate: potent vasoactive substance; RN given refers to parent cpd	2.31	1	0
erlotinib hydrochloride [no description available]	4.9	2	1	hydrochloride; terminal acetylenic compound	antineoplastic agent; protein kinase inhibitor
sorafenib [no description available]	2.6	1	0	(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
Bardoxolone [no description available]	2.31	1	0	cyclohexenones
bardoxolone methyl methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate: structure in first source	2.31	1	0	cyclohexenones
quinidine Quinidine: An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission.. quinidine : A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy.	2.13	1	0	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker
mycophenolic acid Mycophenolic Acid: Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION.. mycophenolate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.. mycophenolic acid : A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.	4.04	2	0	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
brivudine brivudine: anti-herpes agent	4.04	2	0
zithromax Azithromycin: A semi-synthetic macrolide antibiotic structurally related to ERYTHROMYCIN. It has been used in the treatment of Mycobacterium avium intracellulare infections, toxoplasmosis, and cryptosporidiosis.. azithromycin : A macrolide antibiotic useful for the treatment of bacterial infections.	4.04	2	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
adenosine-5'-(n-ethylcarboxamide) Adenosine-5'-(N-ethylcarboxamide): A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity.. N-ethyl-5'-carboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group.	2.17	1	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
h 89 N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide: structure given in first source. N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor.. (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration.	4.04	2	0	N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
ketoconazole (2R,4S)-ketoconazole : A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration.	2.13	1	0	cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
dimethyl fumarate [no description available]	2.31	1	0	diester; enoate ester; methyl ester	antipsoriatic; immunomodulator
jrf 12 N2,N4-dibenzylquinazoline-2,4-diamine: a selective, potent, reversible, and ATP-competitive p97 inhibitor	4.04	2	0
4E2RCat [no description available]	4.04	2	0	organic molecular entity
quercetin [no description available]	4.04	2	0	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
sirolimus Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties.. sirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.	4.04	2	0	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
geldanamycin [no description available]	3.23	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin: structure in first source. alvespimycin : A 19-membered macrocyle that is geldanamycin in which the methoxy group attached to the benzoquinone moiety has been replaced by a 2-(N,N-dimethylamino)ethylamino group.	3.88	3	0	1,4-benzoquinones; ansamycin; carbamate ester; secondary amino compound; tertiary amino compound	Hsp90 inhibitor
dextromethorphan Dextromethorphan: Methyl analog of DEXTRORPHAN that shows high affinity binding to several regions of the brain, including the medullary cough center. This compound is an NMDA receptor antagonist (RECEPTORS, N-METHYL-D-ASPARTATE) and acts as a non-competitive channel blocker. It is one of the widely used ANTITUSSIVES, and is also used to study the involvement of glutamate receptors in neurotoxicity.. dextromethorphan : A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the sterocenters at positions 4a, 10 and 10a have S-configuration. It is a prodrug of dextrorphan and used as an antitussive drug for suppressing cough.	4.04	2	0	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
lisinopril Lisinopril: One of the ANGIOTENSIN-CONVERTING ENZYME INHIBITORS (ACE inhibitors), orally active, that has been used in the treatment of hypertension and congestive heart failure.	4.04	2	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
geldanamycin [no description available]	2.85	3	0
pepstatin pepstatin: inhibits the aspartic protease endothiapepsin	4.04	2	0	pentapeptide; secondary carboxamide	bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor
bafilomycin a1 bafilomycin A1: from Streptomyces griseus; structure given in first source. bafilomycin A1 : The most used of the bafilomycins, a family of toxic macrolide antibiotics derived from Streptomyces griseus.	4.04	2	0	cyclic hemiketal; macrolide antibiotic; oxanes	apoptosis inducer; autophagy inhibitor; bacterial metabolite; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; ferroptosis inhibitor; fungicide; potassium ionophore; toxin
tanespimycin CP 127374: analog of herbimycin A	5.4	6	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone [no description available]	4.04	2	0	oligopeptide
pd 144418 [no description available]	4.04	2	0
midostaurin midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.	4.04	2	0	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
lu 28-179 Lu 28-179: sigma(2) ligand and lysosomotropic agent; structure in first source	4.04	2	0
1-(2-cyano-3,12-dioxooleana-1,9-dien-28-oyl) imidazole [no description available]	2.31	1	0
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.	4.35	3	0	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
PB28 PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities.	4.04	2	0	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist
3beta-hydroxy-17-(1h-benzimidazole-1-yl)androsta-5,16-diene 3-hydroxy-17-(1H-benzimidazole-1-yl)androsta-5,16-diene: has antineoplastic activity; structure in first source	3.35	1	0	3-hydroxy steroid	androgen
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)	3.63	2	0	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
trametinib [no description available]	2.6	1	0	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
cx 4945 [no description available]	4.04	2	0
snx 2112 SNX 2112: an orally available small molecule Hsp90 inhibitor; structure in first source	2.57	2	0
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.	2.21	1	0	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
ponatinib [no description available]	4.04	2	0	(trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine	antineoplastic agent; tyrosine kinase inhibitor
incb-018424 [no description available]	4.04	2	0	nitrile; pyrazoles; pyrrolopyrimidine	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
plx4032 [no description available]	3.23	1	0	aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor
debio 0932 CUDC 305: an Hsp90 inhibitor with antineoplastic activity; structure in first source	2.15	1	0
2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oic acid ethyl amide 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oic acid ethyl amide: synthetic potential anticarcinogenic	2.31	1	0
piperidines Piperidines: A family of hexahydropyridines.	2.21	1	0
e-52862 [no description available]	4.04	2	0
dabrafenib [no description available]	2.6	1	0	1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide	anticoronaviral agent; antineoplastic agent; B-Raf inhibitor
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine sapanisertib: an mTOR inhibitor	4.04	2	0	benzoxazole
jq1 compound [no description available]	4.04	2	0	carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer
ML240 ML240 : A member of the class of quinazolines that is quinazoline which is substituted at positions 2, 5 and 8 by 2-amino-1H-benzimidazol-1-yl, benzylnitrilo and methoxy groups, respectively. It is a ATP-competetive inhibitor of AAA ATPase p97, also known as valosin-containing protein (VCP).	4.04	2	0	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent
pelabresib CPI-0610: a bromodomain and extra-terminal protein inhibitor with antineoplastic activity; structure in first source	4.04	2	0	monochlorobenzenes; organic heterotricyclic compound; primary carboxamide	antineoplastic agent; bromodomain-containing protein 4 inhibitor
2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethyl-2h-chromen-6-yl)ethanone 2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)ethanone: an Hsp90 inhibitor; structure in first source	2.21	1	0
rta 408 omaveloxolone: has both anti-inflammatory and radiation protective activities	2.31	1	0
PF-06446846 PF-06446846: inhibits translation of PCSK9 ;structure in first source. PF-06446846 : A triazolopyridine that is 3H-[1,2,3]triazolo[4,5-b]pyridine substituted by a 4-{(3-chloropyridin-2-yl)[(3R)-piperidin-3-yl]carbamoyl}phenyl group at position 3. It is a potent inhibitor of PCSK9.	4.04	2	0	benzamides; monochloropyridine; piperidines; tertiary carboxamide; triazolopyridine	antilipemic drug; EC 3.4.21.61 (kexin) inhibitor
dBET6 [no description available]	4.04	2	0	organic molecular entity
MZ1 [no description available]	4.04	2	0	organic molecular entity
AZ3451 [no description available]	4.04	2	0	benzimidazoles; benzodioxoles; nitrile; organobromine compound; secondary carboxamide	anti-inflammatory agent; autophagy inducer; PAR2 negative allosteric modulator
lutetium lu 177 dotatate 177Lu-DOTA-octreotate: an somatostatin receptor agonist	2.21	1	0
dacarbazine (E)-dacarbazine : A dacarbazine in which the N=N double bond adopts a trans-configuration.	2.15	1	0	dacarbazine
olanzapine Olanzapine: A benzodiazepine derivative that binds SEROTONIN RECEPTORS; MUSCARINIC RECEPTORS; HISTAMINE H1 RECEPTORS; ADRENERGIC ALPHA-1 RECEPTORS; and DOPAMINE RECEPTORS. It is an antipsychotic agent used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER; and MAJOR DEPRESSIVE DISORDER; it may also reduce nausea and vomiting in patients undergoing chemotherapy.. olanzapine : A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4.	4.04	2	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
ver 52296 luminespib : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine.	5.76	5	0	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor
rvx 208 apabetalone: a bromodomain and extra-terminal domain protein (BET) inhibitor; prevents interactions between BET proteins and acetyl-lysine residues on histone tails to modify epigenetic regulation	4.04	2	0
sta 9090 [no description available]	4.86	5	0	ring assembly; triazoles
pyrimidinones Pyrimidinones: Heterocyclic compounds known as 2-pyrimidones (or 2-hydroxypyrimidines) and 4-pyrimidones (or 4-hydroxypyrimidines) with the general formula C4H4N2O.	2.6	1	0

Condition	Indicated	Relationship Strength	Studies	Trials
Experimental Neoplasms [description not available]	0	2.54	2	0
Colitis Gravis [description not available]	0	2.63	2	0
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	0	3.07	4	0
Colitis, Ulcerative Inflammation of the COLON that is predominantly confined to the MUCOSA. Its major symptoms include DIARRHEA, rectal BLEEDING, the passage of MUCUS, and ABDOMINAL PAIN.	0	2.63	2	0
Metastase [description not available]	0	2.21	1	0
Benign Neoplasms [description not available]	0	5.54	5	1
Invasiveness, Neoplasm [description not available]	0	2.21	1	0
Neoplasm Metastasis The transfer of a neoplasm from one organ or part of the body to another remote from the primary site.	0	2.21	1	0
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.	1	7.54	5	1
Colorectal Cancer [description not available]	0	2.76	2	0
Colorectal Neoplasms Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI.	0	2.76	2	0
Infections, Coronavirus [description not available]	0	5.11	4	0
2019 Novel Coronavirus Disease [description not available]	0	5.11	4	0
Pneumonia, Viral Inflammation of the lung parenchyma that is caused by a viral infection.	0	5.11	4	0
Coronavirus Infections Virus diseases caused by the CORONAVIRUS genus. Some specifics include transmissible enteritis of turkeys (ENTERITIS, TRANSMISSIBLE, OF TURKEYS); FELINE INFECTIOUS PERITONITIS; and transmissible gastroenteritis of swine (GASTROENTERITIS, TRANSMISSIBLE, OF SWINE).	0	5.11	4	0
Congenital Zika Syndrome [description not available]	0	2.25	1	0
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.	0	2.25	1	0
Inflammatory Response Syndrome, Systemic [description not available]	0	2.31	1	0
Cerebral Infarction, Middle Cerebral Artery [description not available]	0	2.31	1	0
Systemic Inflammatory Response Syndrome A systemic inflammatory response to a variety of clinical insults, characterized by two or more of the following conditions: (1) fever	0	2.31	1	0
Infarction, Middle Cerebral Artery NECROSIS occurring in the MIDDLE CEREBRAL ARTERY distribution system which brings blood to the entire lateral aspects of each CEREBRAL HEMISPHERE. Clinical signs include impaired cognition; APHASIA; AGRAPHIA; weak and numbness in the face and arms, contralaterally or bilaterally depending on the infarction.	0	2.31	1	0
Benign Neoplasms, Brain [description not available]	0	2.41	1	0
Astrocytoma, Grade IV [description not available]	0	2.41	1	0
Glial Cell Tumors [description not available]	0	2.63	2	0
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.	0	2.41	1	0
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.	0	2.41	1	0
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)	0	2.63	2	0
Chronic Lung Injury [description not available]	0	2.41	1	0
Innate Inflammatory Response [description not available]	0	2.59	2	0
Alveolitis, Fibrosing [description not available]	0	2.41	1	0
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	0	2.59	2	0
Pulmonary Fibrosis A process in which normal lung tissues are progressively replaced by FIBROBLASTS and COLLAGEN causing an irreversible loss of the ability to transfer oxygen into the bloodstream via PULMONARY ALVEOLI. Patients show progressive DYSPNEA finally resulting in death.	0	2.41	1	0
Malignant Melanoma [description not available]	0	2.59	2	0
Melanoma A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445)	0	2.59	2	0
Thyroid Cancer, Anaplastic [description not available]	0	2.6	1	0
Cancer of the Thyroid [description not available]	0	2.6	1	0
Thyroid Neoplasms Tumors or cancer of the THYROID GLAND.	0	2.6	1	0
Thyroid Carcinoma, Anaplastic An aggressive THYROID GLAND malignancy which generally occurs in IODINE-deficient areas in people with previous thyroid pathology such as GOITER. It is associated with CELL DEDIFFERENTIATION of THYROID CARCINOMA (e.g., FOLLICULAR THYROID CARCINOMA; PAPILLARY THYROID CANCER). Typical initial presentation is a rapidly growing neck mass which upon metastasis is associated with DYSPHAGIA; NECK PAIN; bone pain; DYSPNEA; and NEUROLOGIC DEFICITS.	0	2.6	1	0
Neuroendocrine Tumors Tumors whose cells possess secretory granules and originate from the neuroectoderm, i.e., the cells of the ectoblast or epiblast that program the neuroendocrine system. Common properties across most neuroendocrine tumors include ectopic hormone production (often via APUD CELLS), the presence of tumor-associated antigens, and isozyme composition.	0	2.63	2	0
Carcinoma, Squamous Cell of Head and Neck [description not available]	0	2.69	2	0
Squamous Cell Carcinoma of Head and Neck The most common type of head and neck carcinoma that originates from cells on the surface of the NASAL CAVITY; MOUTH; PARANASAL SINUSES, SALIVARY GLANDS, and LARYNX. Mutations in TNFRSF10B, PTEN, and ING1 genes are associated with this cancer.	0	2.69	2	0
Carcinoma, Non-Small Cell Lung [description not available]	0	3.96	4	0
Cancer of Colon [description not available]	0	2.31	1	0
Cancer of Head [description not available]	0	2.54	2	0
Cancer of Lung [description not available]	0	6.6	6	1
Angiogenesis, Pathologic [description not available]	0	2.31	1	0
Local Neoplasm Recurrence [description not available]	0	2.59	2	0
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.	1	5.96	4	0
Colonic Neoplasms Tumors or cancer of the COLON.	0	2.31	1	0
Head and Neck Neoplasms Soft tissue tumors or cancer arising from the mucosal surfaces of the LIP; oral cavity; PHARYNX; LARYNX; and cervical esophagus. Other sites included are the NOSE and PARANASAL SINUSES; SALIVARY GLANDS; THYROID GLAND and PARATHYROID GLANDS; and MELANOMA and non-melanoma skin cancers of the head and neck. (from Holland et al., Cancer Medicine, 4th ed, p1651)	0	2.54	2	0
Lung Neoplasms Tumors or cancer of the LUNG.	0	6.6	6	1
Cancer of Pancreas [description not available]	0	2.31	1	0
Carcinoma, Ductal, Pancreatic [description not available]	0	2.31	1	0
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).	0	2.31	1	0
Carcinoma, Pancreatic Ductal Carcinoma that arises from the PANCREATIC DUCTS. It accounts for the majority of cancers derived from the PANCREAS.	0	2.31	1	0
Androgen-Independent Prostatic Cancer [description not available]	0	3.53	2	0
Prostatic Neoplasms, Castration-Resistant Tumors or cancer of the PROSTATE which can grow in the presence of low or residual amount of androgen hormones such as TESTOSTERONE.	1	5.53	2	0
Cancer of Prostate [description not available]	0	3.5	2	0
Prostatic Neoplasms Tumors or cancer of the PROSTATE.	0	3.5	2	0
Acute Myelogenous Leukemia [description not available]	0	2.21	1	0
Leukemia, Myeloid, Acute Clonal expansion of myeloid blasts in bone marrow, blood, and other tissue. Myeloid leukemias develop from changes in cells that normally produce NEUTROPHILS; BASOPHILS; EOSINOPHILS; and MONOCYTES.	0	2.21	1	0
Recrudescence [description not available]	0	2.21	1	0
Brill-Symmers Disease [description not available]	0	2.21	1	0
B-Cell Lymphoma [description not available]	0	2.21	1	0
Multiple Primary Neoplasms [description not available]	0	2.21	1	0
Lymphoma, Follicular Malignant lymphoma in which the lymphomatous cells are clustered into identifiable nodules within the LYMPH NODES. The nodules resemble to some extent the GERMINAL CENTER of lymph node follicles and most likely represent neoplastic proliferation of lymph node-derived follicular center B-LYMPHOCYTES.	0	2.21	1	0
Lymphoma, B-Cell A group of heterogeneous lymphoid tumors generally expressing one or more B-cell antigens or representing malignant transformations of B-lymphocytes.	0	2.21	1	0
EBV Infections [description not available]	0	2.08	1	0
Nasopharyngeal Carcinoma A carcinoma that originates in the EPITHELIUM of the NASOPHARYNX and includes four subtypes: keratinizing squamous cell, non-keratinizing, basaloid squamous cell, and PAPILLARY ADENOCARCINOMA. It is most prevalent in Southeast Asian populations and is associated with EPSTEIN-BARR VIRUS INFECTIONS. Somatic mutations associated with this cancer have been identified in NPCR, BAP1, UBAP1, ERBB2, ERBB3, MLL2, PIK3CA, KRAS, NRAS, and ARID1A genes.	0	2.08	1	0
Carcinoma, Anaplastic [description not available]	0	2.08	1	0
Cancer of Nasopharynx [description not available]	0	2.08	1	0
Carcinoma A malignant neoplasm made up of epithelial cells tending to infiltrate the surrounding tissues and give rise to metastases. It is a histological type of neoplasm and not a synonym for cancer.	0	2.08	1	0
Nasopharyngeal Neoplasms Tumors or cancer of the NASOPHARYNX.	0	2.08	1	0
Epstein-Barr Virus Infections Infection with human herpesvirus 4 (HERPESVIRUS 4, HUMAN); which may facilitate the development of various lymphoproliferative disorders. These include BURKITT LYMPHOMA (African type), INFECTIOUS MONONUCLEOSIS, and oral hairy leukoplakia (LEUKOPLAKIA, HAIRY).	0	2.08	1	0
Gastrointestinal Stromal Neoplasm [description not available]	0	5.66	3	2
Adverse Drug Event [description not available]	0	3.5	1	1
Bladder Cancer [description not available]	0	3.92	2	1
Urinary Bladder Neoplasms Tumors or cancer of the URINARY BLADDER.	0	3.92	2	1
Gastrointestinal Stromal Tumors All tumors in the GASTROINTESTINAL TRACT arising from mesenchymal cells (MESODERM) except those of smooth muscle cells (LEIOMYOMA) or Schwann cells (SCHWANNOMA).	0	5.66	3	2
Drug-Related Side Effects and Adverse Reactions Disorders that result from the intended use of PHARMACEUTICAL PREPARATIONS. Included in this heading are a broad variety of chemically-induced adverse conditions due to toxicity, DRUG INTERACTIONS, and metabolic effects of pharmaceuticals.	0	3.5	1	1
Injury, Ischemia-Reperfusion [description not available]	0	2.11	1	0
Reperfusion Injury Adverse functional, metabolic, or structural changes in tissues that result from the restoration of blood flow to the tissue (REPERFUSION) following ISCHEMIA.	0	2.11	1	0
Adenocarcinoma, Basal Cell [description not available]	0	2.11	1	0
Carcinoma, Epidermoid [description not available]	0	2.52	2	0
Adenocarcinoma A malignant epithelial tumor with a glandular organization.	0	2.11	1	0
Carcinoma, Squamous Cell A carcinoma derived from stratified SQUAMOUS EPITHELIAL CELLS. It may also occur in sites where glandular or columnar epithelium is normally present. (From Stedman, 25th ed)	0	2.52	2	0

at 13387

Description

Cross-References

Synonyms (63)

Research Excerpts

Compound-Compound Interactions

Bioavailability

Dosage Studied

Roles (2)

Drug Classes (5)

Protein Targets (14)

Potency Measurements

Inhibition Measurements

Biological Processes (108)

Molecular Functions (58)

Ceullar Components (52)

Bioassays (145)

Research

Studies (59)

Market Indicators

Research Demand Index: 26.08

Study Types

at 13387

Description

Cross-References

Synonyms (63)

Research Excerpts

Compound-Compound Interactions

Bioavailability

Dosage Studied

Roles (2)

Drug Classes (5)

Protein Targets (14)

Potency Measurements

Inhibition Measurements

Biological Processes (108)

Molecular Functions (58)

Ceullar Components (52)

Bioassays (145)

Research

Studies (59)

Market Indicators

Research Demand Index: 26.08

Study Types

Related Drugs (114)

Related Conditions (86)