rvx 208 profile

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 [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	135564749
SCHEMBL ID	145019
SCHEMBL ID	17002023
MeSH ID	M0547663

Synonym
AKOS016008772
1044870-39-4
rvx-208
rvx208
apabetalone [usan:inn]
apabetalone [inn]
8r4a7gdz1d ,
2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxy-4(1h)-quinazolinone
unii-8r4a7gdz1d
apabetalone
rvx000222
2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3h)-one
rvx 208
rvx 000222
rvx-000222
QC-216 ,
4MR6
4MR4
S7295
gtpl7034
2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1,4-dihydroquinazolin-4-one
2-[4-(2-hydroxy-ethoxy)-3,5-dimethyl-phenyl]-5,7-dimethoxy-3h-quinazolin-4-one
NETXMUIMUZJUTB-UHFFFAOYSA-N
2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3h)-one
1k0 ,
CS-3239
HY-16652
SCHEMBL145019
apabetalone [who-dd]
apabetalone [usan]
AC-28201
c20h22n2o5
DTXSID90146502
4J3I
4J1P
SCHEMBL17002023
2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3h-quinazolin-4-one
mfcd18633270
BP-23380
J-001182
AKOS026750505
EX-A1110
HMS3653C10
2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3,4-dihydroquinazolin-4-one
EN300-7408723
NCGC00356073-09
SW219327-1
DB12000
BCP07787
rvx-208(rvx-000222)
AS-35133
Q21099554
SB17171
HMS3886D13
HMS3744M09
CCG-268298
D11131
apabetalone (usan/inn)
2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1h-quinazolin-4-one
2-[4-(2-hydroxyethoxy)-3,5-dimethyl-phenyl]-5,7-dimethoxy-3h-quinazolin-4-one
nsc771600
nsc-771600
NCGC00356073-11

Excerpt	Reference
"RVX 208 is a novel, orally active, BET protein inhibitor and the only BET inhibitor currently available in the field of atherosclerosis."	( RVX 208: A novel BET protein inhibitor, role as an inducer of apo A-I/HDL and beyond. Banerjee, K; Bhadra, R; Ghosh, GC; Ghosh, RK; Gupta, A, 2017)

Excerpt	Reference
"RVX 208 has a novel action of increasing larger, more cardio-protective HDL particles."	( RVX 208: A novel BET protein inhibitor, role as an inducer of apo A-I/HDL and beyond. Banerjee, K; Bhadra, R; Ghosh, GC; Ghosh, RK; Gupta, A, 2017)

Excerpt	Reference
" Notably, compound 85 demonstrated a reasonable antiproliferation effect on MV4;11 leukemia cells and exhibited a good pharmacokinetic profile with high oral bioavailability (75."	( Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation. Ding, K; Liu, Z; Song, M; Tu, Z; Wang, Z; Xiang, Q; Xing, Y; Xu, Y; Xue, X; Zhang, Y; Zhou, Y, 2016)
"Cell membrane permeability is an important determinant for oral absorption and bioavailability of a drug molecule."	( Highly predictive and interpretable models for PAMPA permeability. Jadhav, A; Kerns, E; Nguyen, K; Shah, P; Sun, H; Xu, X; Yan, Z; Yu, KR, 2017)
"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)
" Herein, we report the design, synthesis, and pharmacological evaluation of novel chromone derivatives via scaffold hopping to discover a new class of orally bioavailable BRD4-selective inhibitors."	( Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation. Brasier, AR; Chen, H; Joseph, S; Leonard, PG; Li, Y; Liu, Z; Tian, B; Wang, P; Wold, EA; Zhou, J, 2020)

Excerpt	Reference
" Toxicity studies in animals and phase I/II clinical trials have indicated that RVX-208 is safe and well tolerated in multiple dosing regimens."	( RVX-208, a stimulator of apolipoprotein AI gene expression for the treatment of cardiovascular diseases. McNeill, E, 2010)
" With a therapeutic dosing regimen in which mice were fed Western diet for 10 weeks to develop lesions followed by switching to a low fat diet and concurrent treatment with RVX-208 for 14 weeks, RVX-208 similarly reduced lesion formation by 39% in the whole aorta without significant changes in the plasma lipid parameters."	( A novel BET bromodomain inhibitor, RVX-208, shows reduction of atherosclerosis in hyperlipidemic ApoE deficient mice. Attwell, S; Azhar, S; Hansen, HC; Jahagirdar, R; Johansson, J; McLure, KG; Srivastava, RA; Tobin, J; Wagner, GS; Wong, NC; Wu, J; Young, PR; Yu, R; Zhang, H, 2014)

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	16.2248	0.0123	7.9835	43.2770	AID1645841
G	Vesicular stomatitis virus	Potency	11.3359	0.0123	8.9648	39.8107	AID1645842
Interferon beta	Homo sapiens (human)	Potency	11.3359	0.0033	9.1582	39.8107	AID1645842
HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)	Potency	11.3359	0.0123	8.9648	39.8107	AID1645842
Inositol hexakisphosphate kinase 1	Homo sapiens (human)	Potency	11.3359	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2C9, partial	Homo sapiens (human)	Potency	11.3359	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)
Bromodomain-containing protein 4	Homo sapiens (human)	IC50 (µMol)	2.6223	0.0004	0.4032	9.0500	AID1191950; AID1318693; AID1318694; AID1357987; AID1357988; AID1357989; AID1357990; AID1357991; AID1357992; AID1375117; AID1375118; AID1462214; AID1462220; AID1462228; AID1477943; AID1534669; AID1547245; AID1559489; AID1559490; AID1591809; AID1594404; AID1594406; AID1600708; AID1606738; AID1606739; AID1821724; AID1821725; AID1882324
Bromodomain-containing protein 2	Homo sapiens (human)	IC50 (µMol)	2.9935	0.0009	0.5335	7.4000	AID1357993; AID1357994; AID1821726; AID1821727
Bromodomain-containing protein 3	Homo sapiens (human)	IC50 (µMol)	13.7543	0.0003	0.2871	3.9620	AID1286397; AID1357995; AID1357996; AID1559423; AID1559424; AID1821728; AID1821729
Bromodomain testis-specific protein	Homo sapiens (human)	IC50 (µMol)	2.8167	0.0040	0.7692	5.0270	AID1357997; AID1357998; AID1821730; AID1821731
CREB-binding protein	Homo sapiens (human)	IC50 (µMol)	10.0000	1.3000	6.6892	10.0000	AID1357999; AID1821732
[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)
Bromodomain-containing protein 4	Homo sapiens (human)	Kd	1.1301	0.0010	0.3691	8.9300	AID1280137; AID1280138; AID1280141; AID1280142; AID1289235; AID1289236; AID1460619; AID1460620; AID1513787; AID1513788; AID1549006; AID1549007; AID1606740; AID1606741; AID1674518; AID1674519; AID1827504; AID1827505; AID1859896; AID1859897; AID1881998; AID1881999
Bromodomain-containing protein 2	Homo sapiens (human)	Kd	4.1268	0.0062	0.8232	5.8000	AID1280135; AID1280136; AID1280139; AID1280140; AID1460669; AID1460671; AID1513797; AID1513798; AID1606742; AID1606743
Bromodomain-containing protein 3	Homo sapiens (human)	Kd	2.3736	0.0117	0.6766	4.0650	AID1375174; AID1460668; AID1460670; AID1513794; AID1513795; AID1606744; AID1606745
Bromodomain testis-specific protein	Homo sapiens (human)	Kd	2.7720	0.0220	1.0083	4.8360	AID1606746; AID1606747
CREB-binding protein	Homo sapiens (human)	Kd	10.0000	3.0840	6.3280	9.6000	AID1606748
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
regulation of transcription by RNA polymerase II	Bromodomain-containing protein 4	Homo sapiens (human)
positive regulation of G2/M transition of mitotic cell cycle	Bromodomain-containing protein 4	Homo sapiens (human)
positive regulation of transcription elongation by RNA polymerase II	Bromodomain-containing protein 4	Homo sapiens (human)
chromatin organization	Bromodomain-containing protein 4	Homo sapiens (human)
DNA damage response	Bromodomain-containing protein 4	Homo sapiens (human)
positive regulation of transcription elongation by RNA polymerase II	Bromodomain-containing protein 4	Homo sapiens (human)
positive regulation of canonical NF-kappaB signal transduction	Bromodomain-containing protein 4	Homo sapiens (human)
positive regulation of DNA-templated transcription	Bromodomain-containing protein 4	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Bromodomain-containing protein 4	Homo sapiens (human)
regulation of inflammatory response	Bromodomain-containing protein 4	Homo sapiens (human)
positive regulation of T-helper 17 cell lineage commitment	Bromodomain-containing protein 4	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell activation involved in immune response	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to virus	Interferon beta	Homo sapiens (human)
positive regulation of autophagy	Interferon beta	Homo sapiens (human)
cytokine-mediated signaling pathway	Interferon beta	Homo sapiens (human)
natural killer cell activation	Interferon beta	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT protein	Interferon beta	Homo sapiens (human)
cellular response to interferon-beta	Interferon beta	Homo sapiens (human)
B cell proliferation	Interferon beta	Homo sapiens (human)
negative regulation of viral genome replication	Interferon beta	Homo sapiens (human)
innate immune response	Interferon beta	Homo sapiens (human)
positive regulation of innate immune response	Interferon beta	Homo sapiens (human)
regulation of MHC class I biosynthetic process	Interferon beta	Homo sapiens (human)
negative regulation of T cell differentiation	Interferon beta	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Interferon beta	Homo sapiens (human)
defense response to virus	Interferon beta	Homo sapiens (human)
type I interferon-mediated signaling pathway	Interferon beta	Homo sapiens (human)
neuron cellular homeostasis	Interferon beta	Homo sapiens (human)
cellular response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
cellular response to virus	Interferon beta	Homo sapiens (human)
negative regulation of Lewy body formation	Interferon beta	Homo sapiens (human)
negative regulation of T-helper 2 cell cytokine production	Interferon beta	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell differentiation	Interferon beta	Homo sapiens (human)
natural killer cell activation involved in immune response	Interferon beta	Homo sapiens (human)
adaptive immune response	Interferon beta	Homo sapiens (human)
T cell activation involved in immune response	Interferon beta	Homo sapiens (human)
humoral immune response	Interferon beta	Homo sapiens (human)
positive regulation of T cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
adaptive immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of T cell anergy	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
defense response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
detection of bacterium	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-12 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-6 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protection from natural killer cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
innate immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of dendritic cell differentiation	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class Ib	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
neural tube closure	Bromodomain-containing protein 2	Homo sapiens (human)
nucleosome assembly	Bromodomain-containing protein 2	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Bromodomain-containing protein 2	Homo sapiens (human)
spermatogenesis	Bromodomain-containing protein 2	Homo sapiens (human)
protein localization to chromatin	Bromodomain-containing protein 2	Homo sapiens (human)
chromatin looping	Bromodomain-containing protein 2	Homo sapiens (human)
positive regulation of T-helper 17 cell lineage commitment	Bromodomain-containing protein 2	Homo sapiens (human)
chromatin organization	Bromodomain-containing protein 3	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Bromodomain-containing protein 3	Homo sapiens (human)
endodermal cell differentiation	Bromodomain-containing protein 3	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Bromodomain-containing protein 3	Homo sapiens (human)
protein localization to chromatin	Bromodomain-containing protein 3	Homo sapiens (human)
positive regulation of gene expression	Bromodomain testis-specific protein	Homo sapiens (human)
chromatin remodeling	Bromodomain testis-specific protein	Homo sapiens (human)
regulation of DNA-templated transcription	Bromodomain testis-specific protein	Homo sapiens (human)
mRNA processing	Bromodomain testis-specific protein	Homo sapiens (human)
male meiotic nuclear division	Bromodomain testis-specific protein	Homo sapiens (human)
male meiosis I	Bromodomain testis-specific protein	Homo sapiens (human)
RNA splicing	Bromodomain testis-specific protein	Homo sapiens (human)
sperm DNA condensation	Bromodomain testis-specific protein	Homo sapiens (human)
regulation of RNA splicing	Bromodomain testis-specific protein	Homo sapiens (human)
positive regulation of DNA-templated transcription	Bromodomain testis-specific protein	Homo sapiens (human)
inositol phosphate metabolic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
negative regulation of cold-induced thermogenesis	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	CREB-binding protein	Homo sapiens (human)
response to hypoxia	CREB-binding protein	Homo sapiens (human)
stimulatory C-type lectin receptor signaling pathway	CREB-binding protein	Homo sapiens (human)
chromatin remodeling	CREB-binding protein	Homo sapiens (human)
regulation of DNA-templated transcription	CREB-binding protein	Homo sapiens (human)
protein acetylation	CREB-binding protein	Homo sapiens (human)
signal transduction	CREB-binding protein	Homo sapiens (human)
canonical NF-kappaB signal transduction	CREB-binding protein	Homo sapiens (human)
regulation of smoothened signaling pathway	CREB-binding protein	Homo sapiens (human)
negative regulation of transcription by RNA polymerase I	CREB-binding protein	Homo sapiens (human)
N-terminal peptidyl-lysine acetylation	CREB-binding protein	Homo sapiens (human)
positive regulation of transforming growth factor beta receptor signaling pathway	CREB-binding protein	Homo sapiens (human)
protein destabilization	CREB-binding protein	Homo sapiens (human)
cellular response to nutrient levels	CREB-binding protein	Homo sapiens (human)
cellular response to UV	CREB-binding protein	Homo sapiens (human)
homeostatic process	CREB-binding protein	Homo sapiens (human)
embryonic digit morphogenesis	CREB-binding protein	Homo sapiens (human)
positive regulation of DNA-templated transcription	CREB-binding protein	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	CREB-binding protein	Homo sapiens (human)
rhythmic process	CREB-binding protein	Homo sapiens (human)
protein-containing complex assembly	CREB-binding protein	Homo sapiens (human)
regulation of cellular response to heat	CREB-binding protein	Homo sapiens (human)
positive regulation of protein localization to nucleus	CREB-binding protein	Homo sapiens (human)
positive regulation of double-strand break repair via homologous recombination	CREB-binding protein	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
transcription cis-regulatory region binding	Bromodomain-containing protein 4	Homo sapiens (human)
p53 binding	Bromodomain-containing protein 4	Homo sapiens (human)
chromatin binding	Bromodomain-containing protein 4	Homo sapiens (human)
transcription coregulator activity	Bromodomain-containing protein 4	Homo sapiens (human)
transcription coactivator activity	Bromodomain-containing protein 4	Homo sapiens (human)
protein binding	Bromodomain-containing protein 4	Homo sapiens (human)
RNA polymerase II CTD heptapeptide repeat kinase activity	Bromodomain-containing protein 4	Homo sapiens (human)
enzyme binding	Bromodomain-containing protein 4	Homo sapiens (human)
lysine-acetylated histone binding	Bromodomain-containing protein 4	Homo sapiens (human)
RNA polymerase II C-terminal domain binding	Bromodomain-containing protein 4	Homo sapiens (human)
P-TEFb complex binding	Bromodomain-containing protein 4	Homo sapiens (human)
histone reader activity	Bromodomain-containing protein 4	Homo sapiens (human)
cytokine activity	Interferon beta	Homo sapiens (human)
cytokine receptor binding	Interferon beta	Homo sapiens (human)
type I interferon receptor binding	Interferon beta	Homo sapiens (human)
protein binding	Interferon beta	Homo sapiens (human)
chloramphenicol O-acetyltransferase activity	Interferon beta	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
signaling receptor binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
peptide antigen binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein-folding chaperone binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
chromatin binding	Bromodomain-containing protein 2	Homo sapiens (human)
protein serine/threonine kinase activity	Bromodomain-containing protein 2	Homo sapiens (human)
protein binding	Bromodomain-containing protein 2	Homo sapiens (human)
lysine-acetylated histone binding	Bromodomain-containing protein 2	Homo sapiens (human)
acetylation-dependent protein binding	Bromodomain-containing protein 2	Homo sapiens (human)
chromatin binding	Bromodomain-containing protein 3	Homo sapiens (human)
protein binding	Bromodomain-containing protein 3	Homo sapiens (human)
lysine-acetylated histone binding	Bromodomain-containing protein 3	Homo sapiens (human)
lncRNA binding	Bromodomain-containing protein 3	Homo sapiens (human)
molecular condensate scaffold activity	Bromodomain-containing protein 3	Homo sapiens (human)
transcription coactivator activity	Bromodomain testis-specific protein	Homo sapiens (human)
histone binding	Bromodomain testis-specific protein	Homo sapiens (human)
lysine-acetylated histone binding	Bromodomain testis-specific protein	Homo sapiens (human)
histone reader activity	Bromodomain testis-specific protein	Homo sapiens (human)
inositol-1,3,4,5,6-pentakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol heptakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
protein binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
ATP binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 1-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 3-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
transcription coactivator binding	CREB-binding protein	Homo sapiens (human)
p53 binding	CREB-binding protein	Homo sapiens (human)
chromatin binding	CREB-binding protein	Homo sapiens (human)
damaged DNA binding	CREB-binding protein	Homo sapiens (human)
transcription coactivator activity	CREB-binding protein	Homo sapiens (human)
transcription corepressor activity	CREB-binding protein	Homo sapiens (human)
histone acetyltransferase activity	CREB-binding protein	Homo sapiens (human)
protein binding	CREB-binding protein	Homo sapiens (human)
zinc ion binding	CREB-binding protein	Homo sapiens (human)
acetyltransferase activity	CREB-binding protein	Homo sapiens (human)
peptide N-acetyltransferase activity	CREB-binding protein	Homo sapiens (human)
MRF binding	CREB-binding protein	Homo sapiens (human)
histone H3K18 acetyltransferase activity	CREB-binding protein	Homo sapiens (human)
histone H3K27 acetyltransferase activity	CREB-binding protein	Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor binding	CREB-binding protein	Homo sapiens (human)
peptide-lysine-N-acetyltransferase activity	CREB-binding protein	Homo sapiens (human)
peptide lactyltransferase activity	CREB-binding protein	Homo sapiens (human)
DNA-binding transcription factor binding	CREB-binding protein	Homo sapiens (human)
chromatin DNA binding	CREB-binding protein	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
condensed nuclear chromosome	Bromodomain-containing protein 4	Homo sapiens (human)
nucleus	Bromodomain-containing protein 4	Homo sapiens (human)
nucleoplasm	Bromodomain-containing protein 4	Homo sapiens (human)
extracellular space	Interferon beta	Homo sapiens (human)
extracellular region	Interferon beta	Homo sapiens (human)
Golgi membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
endoplasmic reticulum	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
Golgi apparatus	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
cell surface	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
ER to Golgi transport vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
secretory granule membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
phagocytic vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
early endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
recycling endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular exosome	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
lumenal side of endoplasmic reticulum membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
MHC class I protein complex	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular space	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
external side of plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
chromatin	Bromodomain-containing protein 2	Homo sapiens (human)
nucleus	Bromodomain-containing protein 2	Homo sapiens (human)
nucleoplasm	Bromodomain-containing protein 2	Homo sapiens (human)
cytoplasm	Bromodomain-containing protein 2	Homo sapiens (human)
nuclear speck	Bromodomain-containing protein 2	Homo sapiens (human)
nucleus	Bromodomain-containing protein 3	Homo sapiens (human)
chromatin	Bromodomain-containing protein 3	Homo sapiens (human)
nucleus	Bromodomain testis-specific protein	Homo sapiens (human)
fibrillar center	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytosol	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleus	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytoplasm	CREB-binding protein	Homo sapiens (human)
nucleus	CREB-binding protein	Homo sapiens (human)
nucleoplasm	CREB-binding protein	Homo sapiens (human)
cytoplasm	CREB-binding protein	Homo sapiens (human)
cytosol	CREB-binding protein	Homo sapiens (human)
nuclear body	CREB-binding protein	Homo sapiens (human)
chromatin	CREB-binding protein	Homo sapiens (human)
histone acetyltransferase complex	CREB-binding protein	Homo sapiens (human)
transcription regulator complex	CREB-binding protein	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (255)

Assay ID	Title	Year	Journal	Article
AID977608	Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB	2013	PloS one, , Volume: 8, Issue:12	RVX-208, an inducer of ApoA-I in humans, is a BET bromodomain antagonist.
AID1280142	Binding affinity to human BRD4 bromodomain 2 by isothermal titration calorimetry	2016	Journal of medicinal chemistry, Feb-25, Volume: 59, Issue:4	New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
AID752924	Drug metabolism in human liver microsomes assessed as M5 metabolite level at 100 uM after 4 hrs by LC/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1674518	Binding affinity to N-terminal His-tagged BRD4 BD2 (unknown origin) by isothermal calorimetric titration assay	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Design and Synthesis of a Highly Selective and
AID752992	Drug metabolism in Beagle dog liver microsomes assessed as M4 metabolite level at 100 uM after 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1594410	Antiproliferative activity against human A375 cells assessed as reduction in cell growth measured after 48 hrs by MTT assay	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID752965	Drug metabolism in cynomolgus monkey liver S9 fraction assessed as M4 metabolite level at 100 uM after 6 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1547273	Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay	2020	Journal of medicinal chemistry, 04-09, Volume: 63, Issue:7	Discovery of Thieno[2,3-
AID1280140	Binding affinity to human BRD2 bromodomain 2 by isothermal titration calorimetry	2016	Journal of medicinal chemistry, Feb-25, Volume: 59, Issue:4	New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
AID1375119	Selectivity ratio of IC50 for 6H-Thr BRD4 Y390A mutant BD1 (unknown origin) to IC50 for 6H-Thr BRD4 Y97A mutant BD2 (unknown origin)	2018	Journal of medicinal chemistry, 05-24, Volume: 61, Issue:10	Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain.
AID1513798	Inhibition of human 6x-His-tagged BRD2 bromodomain 2 expressed in Escherichia coli	2018	Journal of medicinal chemistry, 10-25, Volume: 61, Issue:20	Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
AID752938	Drug metabolism in New Zealand White rabbit liver S9 fraction assessed per 4 mg/ml of protein at 2 mM after 24 hrs by LC-MS/MS analysis in presence of 5 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1368373	Cytotoxicity against human HepG2 cells assessed as reduction in cell viability after 3 days by CellTiter-Glo assay	2018	Bioorganic & medicinal chemistry, 01-01, Volume: 26, Issue:1	Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
AID1357987	Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG54 RNA expression preincubated for 24 hrs followed by poly(I:C) addition and measured after 4 hrs by SYBR green dye-based qRT-PCR analysis	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID752964	Drug metabolism in cynomolgus monkey liver S9 fraction assessed as M4 metabolite level at 100 uM after 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1460669	Inhibition of recombinant human His6-tagged BRD2 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells	2017	Journal of medicinal chemistry, 06-08, Volume: 60, Issue:11	Drug Discovery Targeting Bromodomain-Containing Protein 4.
AID1357989	Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced IL-8 RNA expression preincubated for 24 hrs followed by poly(I:C) addition and measured after 4 hrs by SYBR green dye-based qRT-PCR analysis	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID752991	Drug metabolism in cynomolgus monkey liver microsomes assessed as M4 metabolite level at 100 uM after 1 hr by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1606742	Binding affinity to recombinant BRD2 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
AID1462220	Inhibition of human BRD4 bromo domain 1	2017	Bioorganic & medicinal chemistry letters, 09-01, Volume: 27, Issue:17	Structure-based design, synthesis and in vitro antiproliferative effects studies of novel dual BRD4/HDAC inhibitors.
AID1280139	Binding affinity to human BRD2 bromodomain 1 by isothermal titration calorimetry	2016	Journal of medicinal chemistry, Feb-25, Volume: 59, Issue:4	New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
AID1827533	Cytotoxicity against human CCRF-CEM cells assessed as reduction in cell viability incubated for 72 hrs	2022	Journal of medicinal chemistry, 04-14, Volume: 65, Issue:7	CRCM5484: A BET-BDII Selective Compound with Differential Anti-leukemic Drug Modulation.
AID1460670	Inhibition of recombinant human His6-tagged BRD3 bromodomain 2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells	2017	Journal of medicinal chemistry, 06-08, Volume: 60, Issue:11	Drug Discovery Targeting Bromodomain-Containing Protein 4.
AID752969	Drug metabolism in Beagle dog liver S9 fraction assessed as M4 metabolite level at 100 uM after 1 hr by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752974	Drug metabolism in calf liver microsomes assessed as M4 metabolite level at 100 uM after 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1460620	Inhibition of recombinant human His6-tagged BRD4 bromodomain 2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins followed by HSGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH peptide substrate addition after 30 mins by alphas	2017	Journal of medicinal chemistry, 06-08, Volume: 60, Issue:11	Drug Discovery Targeting Bromodomain-Containing Protein 4.
AID1357990	Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced grobeta RNA expression preincubated for 24 hrs followed by poly(I:C) addition and measured after 4 hrs by SYBR green dye-based qRT-PCR analysis	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID752961	Drug metabolism in Sprague-Dawley rat liver S9 fraction assessed as M4 metabolite level at 100 uM after 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1606748	Binding affinity to recombinant CBP (unknown origin) incubated for 1 hr by TR-FRET assay	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
AID752989	Drug metabolism in cynomolgus monkey liver microsomes assessed as M4 metabolite level at 100 uM after 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752977	Drug metabolism in human liver microsomes assessed as M4 metabolite level at 100 uM after 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752932	Drug metabolism in New Zealand White rabbit liver S9 fraction assessed per 4 mg/ml of protein at 0.5 mM after 24 hrs by LC-MS/MS analysis in presence of 25 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1357995	Inhibition of BRD3 BD1 (unknown origin) after 1 hr by TR-FRET assay	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID1547245	Inhibition of GST-tagged BRD4 bromodomain (unknown origin) using biotinylated histone H4KAc peptide (1 to 21 residues) as substrate by HTRF assay	2020	Journal of medicinal chemistry, 04-09, Volume: 63, Issue:7	Discovery of Thieno[2,3-
AID1594415	Antifibrotic activity against human LX2 cells assessed as reduction in cell growth measured after 48 hrs by MTT assay	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID1357993	Inhibition of BRD2 BD1 (unknown origin) after 1 hr by TR-FRET assay	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID752981	Drug metabolism in New Zealand White rabbit liver microsomes assessed as M4 metabolite level at 100 uM after 6 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1460619	Inhibition of recombinant human His6-tagged BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins followed by H4K5acK8acK12acK16ac peptide substrate addition after 30 mins by alphascreen assay	2017	Journal of medicinal chemistry, 06-08, Volume: 60, Issue:11	Drug Discovery Targeting Bromodomain-Containing Protein 4.
AID752933	Drug metabolism in New Zealand White rabbit liver S9 fraction assessed per 4 mg/ml of protein at 2 mM after 24 hrs by LC-MS/MS analysis in presence of 25 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1594407	Antiproliferative activity against human A549 cells assessed as reduction in cell growth measured after 48 hrs by MTT assay	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID1358022	Anti-inflammatory activity in poly(I:C)-induced airway inflammation C57BL/6 mouse model assessed as reduction in mISG54 expression in lung at 10 mg/kg, ip administered 1 day prior to poly(I:C) stimulation and redosed on day 2 followed by poly(I:C) stimula	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID1286397	Inhibition of human His-tagged BRD3 bromodomain 2 using biotin-H4K5acK8acK12acK16ac as substrate incubated for 30 mins by alphascreen assay	2016	Journal of medicinal chemistry, Feb-25, Volume: 59, Issue:4	Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation.
AID1477997	Induction of autophagy in GFP/mRFP treated human MCF7 cells assessed as induction of LC3 puncta at 150 uM by fluorescence microscopic analysis	2017	Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24	Discovery of a Small-Molecule Bromodomain-Containing Protein 4 (BRD4) Inhibitor That Induces AMP-Activated Protein Kinase-Modulated Autophagy-Associated Cell Death in Breast Cancer.
AID752993	Drug metabolism in Beagle dog liver microsomes assessed as M4 metabolite level at 100 uM after 6 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752955	Drug metabolism in New Zealand White rabbit liver S9 fraction assessed as M4 metabolite level at 100 uM after 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1318696	Cytotoxicity against human HL60 cells assessed as decrease in cell viability after 24 hrs by MTT assay	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Development of 4,5-dihydro-benzodiazepinone derivatives as a new chemical series of BRD4 inhibitors.
AID1513833	Inhibition of BRD4 bromodomain 2 in human A549 cells assessed as reduction in TNFalpha-induced IL8 levels at 1 uM after 24 hrs by ELISA relative to control	2018	Journal of medicinal chemistry, 10-25, Volume: 61, Issue:20	Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
AID752973	Drug metabolism in Yucatan minipig liver microsomes assessed as M4 metabolite level at 100 uM after 1 hr by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1827504	Inhibition of BRD4-BD1 (unknown origin) assessed as dissociation constant by ITC method	2022	Journal of medicinal chemistry, 04-14, Volume: 65, Issue:7	CRCM5484: A BET-BDII Selective Compound with Differential Anti-leukemic Drug Modulation.
AID752925	Drug metabolism in New Zealand White rabbit liver S9 fraction assessed per 20 mg of protein at 1 mM after 24 hrs by LC/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752983	Drug metabolism in ICR/CD1 mouse liver microsomes assessed as M4 metabolite level at 100 uM after 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1559490	Displacement of tetra-acetylated histone H4 peptide from recombinant human N-terminal His-tagged BRD4 BD2 incubated for 2 hrs by TR-FRET assay	2019	Journal of medicinal chemistry, 12-26, Volume: 62, Issue:24	Discovery of Benzo[
AID752954	Drug metabolism in human liver S9 fraction assessed as M4 metabolite level at 100 uM after 1 hr by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1375174	Binding affinity to human BRD3 BD2 by ITC method	2018	Journal of medicinal chemistry, 05-24, Volume: 61, Issue:10	Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain.
AID1368371	Cytotoxicity against human BJ cells assessed as reduction in cell viability after 3 days by CellTiter-Glo assay	2018	Bioorganic & medicinal chemistry, 01-01, Volume: 26, Issue:1	Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
AID752951	Drug metabolism in Yucatan minipig liver S9 fraction assessed as M4 metabolite level at 100 uM after 1 hr by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1827530	Downregulation of Myc expression in human MOLM-14 cells incubated for 2 hrs by RT-PCR analysis	2022	Journal of medicinal chemistry, 04-14, Volume: 65, Issue:7	CRCM5484: A BET-BDII Selective Compound with Differential Anti-leukemic Drug Modulation.
AID752927	Drug metabolism in calf liver microsomes assessed per 4 mg/ml of protein at 2 mM after 24 hrs by LC-MS/MS analysis in presence of 5 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1357992	Inhibition of BRD4 BD2 (unknown origin) after 1 hr by TR-FRET assay	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID1547271	Inhibition of HDAC7 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay	2020	Journal of medicinal chemistry, 04-09, Volume: 63, Issue:7	Discovery of Thieno[2,3-
AID1559424	Displacement of tetra-acetylated histone H4 peptide from recombinant human His-tagged BRD3 BD1 expressed in bacterial expression system by alphascreen assay	2019	Journal of medicinal chemistry, 12-26, Volume: 62, Issue:24	Discovery of Benzo[
AID1547272	Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay	2020	Journal of medicinal chemistry, 04-09, Volume: 63, Issue:7	Discovery of Thieno[2,3-
AID1513797	Inhibition of human 6x-His-tagged BRD2 bromodomain 1 expressed in Escherichia coli	2018	Journal of medicinal chemistry, 10-25, Volume: 61, Issue:20	Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
AID1559491	Selectivity index, ratio of IC50 for recombinant human N-terminal His-tagged BRD4 BD2 to IC50 for recombinant human N-terminal His-tagged BRD4 BD1 by TR-FRET assay	2019	Journal of medicinal chemistry, 12-26, Volume: 62, Issue:24	Discovery of Benzo[
AID1827505	Inhibition of BRD4-BD2 (unknown origin) assessed as dissociation constant by ITC method	2022	Journal of medicinal chemistry, 04-14, Volume: 65, Issue:7	CRCM5484: A BET-BDII Selective Compound with Differential Anti-leukemic Drug Modulation.
AID752952	Drug metabolism in human liver S9 fraction assessed as M4 metabolite level at 100 uM after 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752940	Drug metabolism in New Zealand White rabbit liver microsomes assessed per mg/ml of protein at 0.5 mM after 24 hrs by LC-MS/MS analysis in presence of 25 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1289236	Binding affinity to BRD4 bromodomain 2 (unknown origin) by isothermal titration calorimetric analysis	2016	Journal of medicinal chemistry, Feb-25, Volume: 59, Issue:4	Disrupting Acetyl-Lysine Recognition: Progress in the Development of Bromodomain Inhibitors.
AID1318695	Cytotoxicity against human U937 cells assessed as decrease in cell viability after 24 hrs by MTT assay	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Development of 4,5-dihydro-benzodiazepinone derivatives as a new chemical series of BRD4 inhibitors.
AID1827532	Cytotoxicity against human K562 cells assessed as reduction in cell viability incubated for 72 hrs	2022	Journal of medicinal chemistry, 04-14, Volume: 65, Issue:7	CRCM5484: A BET-BDII Selective Compound with Differential Anti-leukemic Drug Modulation.
AID752982	Drug metabolism in New Zealand White rabbit liver microsomes assessed as M4 metabolite level at 100 uM after 1 hr by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752944	Drug metabolism in New Zealand White rabbit liver microsomes assessed per mg/ml of protein at 0.2 mM after 24 hrs by LC-MS/MS analysis in presence of 5 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1375117	Displacement of (+)-JQ1 from 6H-Thr BRD4 Y390A mutant BD1 (unknown origin) after 30 mins by TR-FRET assay	2018	Journal of medicinal chemistry, 05-24, Volume: 61, Issue:10	Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain.
AID1368370	Cytotoxicity against human Loucy cells assessed as reduction in cell viability after 5 days by CellTiter-Glo assay	2018	Bioorganic & medicinal chemistry, 01-01, Volume: 26, Issue:1	Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
AID1559422	Selectivity index, ratio of IC50 for recombinant human His-tagged BRD3 BD1 expressed in bacterial expression system to IC50 for recombinant human His-tagged BRD3 BD2 expressed in bacterial expression system	2019	Journal of medicinal chemistry, 12-26, Volume: 62, Issue:24	Discovery of Benzo[
AID1513794	Inhibition of human 6x-His-tagged BRD3 bromodomain 1 expressed in Escherichia coli	2018	Journal of medicinal chemistry, 10-25, Volume: 61, Issue:20	Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
AID752957	Drug metabolism in New Zealand White rabbit liver S9 fraction assessed as M4 metabolite level at 100 uM after 1 hr by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752967	Drug metabolism in Beagle dog liver S9 fraction assessed as M4 metabolite level at 100 uM after 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1606736	Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible CIG5 gene expression at 10 uM pre-incubated for 24 hrs before poly(I:C) stimulation for 4 hrs by qRT-PCR analysis relative to control	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
AID752987	Drug metabolism in Sprague-Dawley rat liver microsomes assessed as M4 metabolite level at 100 uM after 6 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1547284	Effect on histone H3 expression level in human HCT116 cells measured after 24 hrs by Western blot analysis	2020	Journal of medicinal chemistry, 04-09, Volume: 63, Issue:7	Discovery of Thieno[2,3-
AID752966	Drug metabolism in cynomolgus monkey liver S9 fraction assessed as M4 metabolite level at 100 uM after 1 hr by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1845925	Reversal of HIV-1 latency infected in GFP-fused human J-Lat C11 cells assessed as increase in GFP expression at 100 uM incubated for 72 hrs by flow cytometry	2021	European journal of medicinal chemistry, Mar-05, Volume: 213	HIV latency reversal agents: A potential path for functional cure?
AID1358020	Anti-inflammatory activity in poly(I:C)-induced airway inflammation C57BL/6 mouse model assessed as reduction in neutrophils recruitment into bronchoalveolar lavage fluid at 10 mg/kg, ip administered 1 day prior to poly(I:C) stimulation and redosed on day	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID1368367	Cytotoxicity against human NALM6 cells assessed as reduction in cell viability after 5 days by CellTiter-Glo assay	2018	Bioorganic & medicinal chemistry, 01-01, Volume: 26, Issue:1	Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
AID1547286	Inhibition of BRD4 in human HCT116 cells assessed as reduction in C-myc level measured after 24 hrs by Western blot analysis	2020	Journal of medicinal chemistry, 04-09, Volume: 63, Issue:7	Discovery of Thieno[2,3-
AID752986	Drug metabolism in Sprague-Dawley rat liver microsomes assessed as M4 metabolite level at 100 uM after 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1821724	Binding affinity recombinant human BRD4 BD1 (42 to 168 residues) expressed in Escherichia coli BL21(DE3) incubated for 1 hr by TR-FRET assay	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site.
AID1318693	Inhibition of human His-tagged BRD4 BD1 (49 to 170 residues) using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by TR-FRET assay	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Development of 4,5-dihydro-benzodiazepinone derivatives as a new chemical series of BRD4 inhibitors.
AID1513787	Inhibition of human 6x-His-tagged BRD4 bromodomain 1 expressed in Escherichia coli	2018	Journal of medicinal chemistry, 10-25, Volume: 61, Issue:20	Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
AID1462223	Antiproliferative activity against human OCI-AML3 cells after 72 hrs by MTT assay	2017	Bioorganic & medicinal chemistry letters, 09-01, Volume: 27, Issue:17	Structure-based design, synthesis and in vitro antiproliferative effects studies of novel dual BRD4/HDAC inhibitors.
AID1591814	Antihyperlipidemic activity in po dosed Sprague-Dawley rat assessed as decrease in triglyceride level administered twice daily for 1 week measured 2 hrs post-last dose by GPO-PAP analysis relative to control	2019	Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16	Design, synthesis and biological evaluation of hypolipidemic compounds based on BRD4 inhibitor RVX-208.
AID1594419	Selectivity index, ratio of IC50 for cytotoxicity against human LO2 cells to IC50 for antifibrotic activity against human LX2 cells	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID1821731	Binding affinity BRDT BD2 (unknown origin) incubated for 1 hr by TR-FRET assay	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site.
AID1606738	Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible CIG5 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for 4 hrs by qRT-PCR analysis	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
AID1674517	Selectivity ratio of Kd for N-terminal His-tagged BRD4 BD1 (unknown origin) to Kd for N-terminal His-tagged BRD4 BD2 (unknown origin) by isothermal calorimetric titration assay	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Design and Synthesis of a Highly Selective and
AID752934	Drug metabolism in New Zealand White rabbit liver S9 fraction assessed per mg/ml of protein at 0.2 mM after 24 hrs by LC-MS/MS analysis in presence of 5 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1594418	Cytotoxicity against human LO2 cells assessed as reduction in cell growth measured after 24 hrs by MTT assay	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID1606744	Binding affinity to recombinant BRD3 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
AID752994	Drug metabolism in Beagle dog liver microsomes assessed as M4 metabolite level at 100 uM after 1 hr by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1547353	Decrease in BRD4 expression in human HCT116 cells incubated for 24 hrs by western blot analysis	2020	Journal of medicinal chemistry, 04-09, Volume: 63, Issue:7	Discovery of Thieno[2,3-
AID752959	Drug metabolism in ICR/CD1 mouse liver S9 fraction assessed as M4 metabolite level at 100 uM after 6 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1357996	Inhibition of BRD3 BD2 (unknown origin) after 1 hr by TR-FRET assay	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID1368366	Cytotoxicity against human HD-MB03 cells assessed as reduction in cell viability after 5 days by CellTiter-Glo assay	2018	Bioorganic & medicinal chemistry, 01-01, Volume: 26, Issue:1	Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
AID1591810	Up regulation of ApoA1 mRNA expression in human HepG2 cells at 100 uM by RT-PCR analysis relative to control	2019	Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16	Design, synthesis and biological evaluation of hypolipidemic compounds based on BRD4 inhibitor RVX-208.
AID1594413	Inhibition of BRD4 in human A375 cells assessed as reduction in c-MYC mRNA expression at 10 uM measured after 24 hrs by RT-PCR analysis	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID1477944	Antiproliferative activity against human MCF7 cells after 24 hrs by MTT assay	2017	Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24	Discovery of a Small-Molecule Bromodomain-Containing Protein 4 (BRD4) Inhibitor That Induces AMP-Activated Protein Kinase-Modulated Autophagy-Associated Cell Death in Breast Cancer.
AID752984	Drug metabolism in ICR/CD1 mouse liver microsomes assessed as M4 metabolite level at 100 uM after 6 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1821730	Binding affinity BRDT BD1 (unknown origin) incubated for 1 hr by TR-FRET assay	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site.
AID752988	Drug metabolism in Sprague-Dawley rat liver microsomes assessed as M4 metabolite level at 100 uM after 1 hr by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1375175	Selectivity ratio of Kd for human BRD3 BD2 to Kd for human BRD3 BD1	2018	Journal of medicinal chemistry, 05-24, Volume: 61, Issue:10	Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain.
AID1594417	Antifibrotic activity against rat NRK-49F cells assessed as reduction in cell growth measured after 48 hrs by MTT assay	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID1881998	Binding affinity to BRD4 BD1 (unknown origin) by isothermal titration calorimetry
AID752978	Drug metabolism in human liver microsomes assessed as M4 metabolite level at 100 uM after 1 hr by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1547246	Antiproliferative activity against human HCT116 cells assessed as reduction in cell viability measured after 24 to 48 hrs by MTT assay	2020	Journal of medicinal chemistry, 04-09, Volume: 63, Issue:7	Discovery of Thieno[2,3-
AID752945	Drug metabolism in New Zealand White rabbit liver microsomes assessed per mg/ml of protein at 0.5 mM after 24 hrs by LC-MS/MS analysis in presence of 5 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752942	Drug metabolism in New Zealand White rabbit liver microsomes assessed per 4 mg/ml of protein at 0.5 mM after 24 hrs by LC-MS/MS analysis in presence of 25 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1559436	Inhibition of BRD4 BD1 in HUVEC assessed as downregulation of NF-kappaB activity at 0.1 to 10 uM incubated for 24 hrs by dual luciferase reporter gene assay	2019	Journal of medicinal chemistry, 12-26, Volume: 62, Issue:24	Discovery of Benzo[
AID752972	Drug metabolism in Yucatan minipig liver microsomes assessed as M4 metabolite level at 100 uM after 6 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752939	Drug metabolism in New Zealand White rabbit liver microsomes assessed per mg/ml of protein at 0.2 mM after 24 hrs by LC-MS/MS analysis in presence of 25 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1358021	Anti-inflammatory activity in poly(I:C)-induced airway inflammation C57BL/6 mouse model assessed as reduction in mKC expression in lung at 10 mg/kg, ip administered 1 day prior to poly(I:C) stimulation and redosed on day 2 followed by poly(I:C) stimulatio	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID1594421	Inhibition of BRD4 in human HLF1 cells assessed as reduction in collagen-1 protein expression at 10 uM measured after 24 hrs by Western blot analysis	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID1280137	Binding affinity to human BRD4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry	2016	Journal of medicinal chemistry, Feb-25, Volume: 59, Issue:4	New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
AID1594409	Antiproliferative activity against human HepG2 cells assessed as reduction in cell growth measured after 48 hrs by MTT assay	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID1460668	Inhibition of recombinant human His6-tagged BRD3 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells	2017	Journal of medicinal chemistry, 06-08, Volume: 60, Issue:11	Drug Discovery Targeting Bromodomain-Containing Protein 4.
AID752985	Drug metabolism in ICR/CD1 mouse liver microsomes assessed as M4 metabolite level at 100 uM after 1 hr by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752937	Drug metabolism in New Zealand White rabbit liver S9 fraction assessed per 4 mg/ml of protein at 0.5 mM after 24 hrs by LC-MS/MS analysis in presence of 5 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1280141	Binding affinity to human BRD4 bromodomain 1 by isothermal titration calorimetry	2016	Journal of medicinal chemistry, Feb-25, Volume: 59, Issue:4	New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
AID1827529	Cytotoxicity against human MOLM-14 cells assessed as reduction in cell viability incubated for 72 hrs	2022	Journal of medicinal chemistry, 04-14, Volume: 65, Issue:7	CRCM5484: A BET-BDII Selective Compound with Differential Anti-leukemic Drug Modulation.
AID752949	Drug metabolism in Yucatan minipig liver S9 fraction assessed as M4 metabolite level at 100 uM after 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752956	Drug metabolism in New Zealand White rabbit liver S9 fraction assessed as M4 metabolite level at 100 uM after 6 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1409614	Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound	2020	Nature, 07, Volume: 583, Issue:7816	A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.
AID752947	Drug metabolism in New Zealand White rabbit liver microsomes assessed per 4 mg/ml of protein at 0.5 mM after 24 hrs by LC-MS/MS analysis in presence of 5 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1318694	Inhibition of human BRD4 BD2 (342 to 460 residues) at 30 uM preincubated for 30 mins followed by substrate addition measured after 30 mins by TR-FRET assay	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Development of 4,5-dihydro-benzodiazepinone derivatives as a new chemical series of BRD4 inhibitors.
AID1477943	Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incubated for 30 mins followed by biotinylated histone peptide H4 addition measured after 30 mins by AlphaScre	2017	Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24	Discovery of a Small-Molecule Bromodomain-Containing Protein 4 (BRD4) Inhibitor That Induces AMP-Activated Protein Kinase-Modulated Autophagy-Associated Cell Death in Breast Cancer.
AID1191950	Inhibition of BRD4 bromodomain-1 (unknown origin) by europium based LANCE TR-FRET assay	2015	Bioorganic & medicinal chemistry, Mar-01, Volume: 23, Issue:5	Discovery and structure-activity relationship studies of N6-benzoyladenine derivatives as novel BRD4 inhibitors.
AID1547282	Inhibition of HDAC in human HCT116 cells assessed as increase in acetylated histone H3 expression level measured after 24 hrs by Western blot analysis	2020	Journal of medicinal chemistry, 04-09, Volume: 63, Issue:7	Discovery of Thieno[2,3-
AID1821722	Antiinflammatory activity in human SAEC assessed as inhibition of Poly(I:C) induced IL-6 expression pretreated for 24 hrs followed by Poly(I:C) addition for 4 hrs by qRT-PCR analysis	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site.
AID1594408	Antiproliferative activity against human HT-29 cells assessed as reduction in cell growth measured after 48 hrs by MTT assay	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID752931	Drug metabolism in New Zealand White rabbit liver S9 fraction assessed per mg/ml of protein at 2 mM after 24 hrs by LC-MS/MS analysis in presence of 25 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1674519	Binding affinity to N-terminal His-tagged BRD4 BD1 (unknown origin) by isothermal calorimetric titration assay	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Design and Synthesis of a Highly Selective and
AID752936	Drug metabolism in New Zealand White rabbit liver S9 fraction assessed per mg/ml of protein at 2 mM after 24 hrs by LC-MS/MS analysis in presence of 5 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1859896	Binding affinity to human BRD4 BD1 assessed as dissociation constant by ITC analysis	2022	European journal of medicinal chemistry, Aug-05, Volume: 238	Discovery of 2-((2-methylbenzyl)thio)-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carbonitrile as a novel and effective bromodomain and extra-terminal (BET) inhibitor for the treatment of sepsis.
AID752928	Drug metabolism in calf liver microsomes assessed per mg/ml of protein at 2 mM after 24 hrs by LC-MS/MS analysis in presence of 5 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1358024	Anti-inflammatory activity in poly(I:C)-induced airway inflammation C57BL/6 mouse model assessed as reduction in mCIG5 expression in lung at 10 mg/kg, ip administered 1 day prior to poly(I:C) stimulation and redosed on day 2 followed by poly(I:C) stimulat	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID1606747	Binding affinity to recombinant BRDT BD2 (unknown origin) incubated for 1 hr by TR-FRET assay	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
AID752979	Drug metabolism in human liver microsomes assessed as M4 metabolite level at 100 uM after 6 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1559423	Displacement of tetra-acetylated histone H4 peptide from recombinant human His-tagged BRD3 BD2 expressed in bacterial expression system by alphascreen assay	2019	Journal of medicinal chemistry, 12-26, Volume: 62, Issue:24	Discovery of Benzo[
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.
AID1821729	Binding affinity BRD3 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site.
AID1280144	Selectivity ratio of Kd for human BRD2 bromodomain 1 expressed in Escherichia coli BL21 (DE3) cells to Kd for human BRD2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) cells	2016	Journal of medicinal chemistry, Feb-25, Volume: 59, Issue:4	New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
AID1462222	Antiproliferative activity against human OCI-AML2 cells after 72 hrs by MTT assay	2017	Bioorganic & medicinal chemistry letters, 09-01, Volume: 27, Issue:17	Structure-based design, synthesis and in vitro antiproliferative effects studies of novel dual BRD4/HDAC inhibitors.
AID1462217	Antiproliferative activity against human MV4-11 cells after 72 hrs by MTT assay	2017	Bioorganic & medicinal chemistry letters, 09-01, Volume: 27, Issue:17	Structure-based design, synthesis and in vitro antiproliferative effects studies of novel dual BRD4/HDAC inhibitors.
AID752976	Drug metabolism in calf liver microsomes assessed as M4 metabolite level at 100 uM after 1 hr by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1821726	Binding affinity BRD2 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site.
AID1289235	Binding affinity to BRD4 bromodomain 1 (unknown origin) by isothermal titration calorimetric analysis	2016	Journal of medicinal chemistry, Feb-25, Volume: 59, Issue:4	Disrupting Acetyl-Lysine Recognition: Progress in the Development of Bromodomain Inhibitors.
AID1477952	Inhibition of BRD4 bromodomain-1 interaction with AMPK in human MCF7 cells assessed as induction of autophagy activity by measuring MDC positive cells at 5 uM after 6 hrs by MDC-fluorescence based flow cytometric analysis relative to control	2017	Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24	Discovery of a Small-Molecule Bromodomain-Containing Protein 4 (BRD4) Inhibitor That Induces AMP-Activated Protein Kinase-Modulated Autophagy-Associated Cell Death in Breast Cancer.
AID1357994	Inhibition of BRD2 BD2 (unknown origin) after 1 hr by TR-FRET assay	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
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.
AID1462228	Inhibition of human BRD4 bromodomain2 by Alphascreen assay	2017	Bioorganic & medicinal chemistry letters, 09-01, Volume: 27, Issue:17	Structure-based design, synthesis and in vitro antiproliferative effects studies of novel dual BRD4/HDAC inhibitors.
AID1882324	Inhibition of BRD4 (unknown origin)	2022	European journal of medicinal chemistry, Feb-15, Volume: 230	Dual-target inhibitors of poly (ADP-ribose) polymerase-1 for cancer therapy: Advances, challenges, and opportunities.
AID1513805	Displacement of BI-BODIPY from BRD4 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence polarization assay	2018	Journal of medicinal chemistry, 10-25, Volume: 61, Issue:20	Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
AID1513795	Inhibition of human 6x-His-tagged BRD3 bromodomain 2 expressed in Escherichia coli	2018	Journal of medicinal chemistry, 10-25, Volume: 61, Issue:20	Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
AID1549006	Binding affinity to human BRD4 BD1 by isothermal calorimetry analysis	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of
AID1368372	Cytotoxicity against HEK293 cells assessed as reduction in cell viability after 3 days by CellTiter-Glo assay	2018	Bioorganic & medicinal chemistry, 01-01, Volume: 26, Issue:1	Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
AID1357999	Inhibition of CBP (unknown origin) after 1 hr by TR-FRET assay	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID1606741	Binding affinity to recombinant BRD4 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
AID1606743	Binding affinity to recombinant BRD2 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
AID752935	Drug metabolism in New Zealand White rabbit liver S9 fraction assessed per mg/ml of protein at 0.5 mM after 24 hrs by LC-MS/MS analysis in presence of 5 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1318697	Cytotoxicity against human MV4-11 cells assessed as decrease in cell viability after 24 hrs by MTT assay	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Development of 4,5-dihydro-benzodiazepinone derivatives as a new chemical series of BRD4 inhibitors.
AID1594404	Inhibition of biotinylated H4 K5,8,12,16Ac peptide binding to GST-tagged BRD4 bromodomain1 (unknown origin) measured after 60 mins by AlphaScreen assay	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID1477999	Induction of autophagy in GFP/mRFP treated human MDA-MB-231 cells assessed as induction of LC3 puncta at 150 uM by fluorescence microscopic analysis	2017	Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24	Discovery of a Small-Molecule Bromodomain-Containing Protein 4 (BRD4) Inhibitor That Induces AMP-Activated Protein Kinase-Modulated Autophagy-Associated Cell Death in Breast Cancer.
AID1368369	Cytotoxicity against human 697 cells assessed as reduction in cell viability after 5 days by CellTiter-Glo assay	2018	Bioorganic & medicinal chemistry, 01-01, Volume: 26, Issue:1	Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
AID752950	Drug metabolism in Yucatan minipig liver S9 fraction assessed as M4 metabolite level at 100 uM after 6 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1357998	Inhibition of BRDT BD2 (unknown origin) after 1 hr by TR-FRET assay	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID1821725	Binding affinity human BRD4 BD2 incubated for 1 hr by TR-FRET assay	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site.
AID1478046	Induction of autophagy in human MDA-MB-231 cells assessed as downregulation of p62/SQSTM1 expression at 150 uM by Western blot analysis	2017	Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24	Discovery of a Small-Molecule Bromodomain-Containing Protein 4 (BRD4) Inhibitor That Induces AMP-Activated Protein Kinase-Modulated Autophagy-Associated Cell Death in Breast Cancer.
AID1606740	Binding affinity to recombinant BRD4 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
AID1357991	Inhibition of BRD4 BD1 (unknown origin) after 1 hr by TR-FRET assay	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
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.
AID752953	Drug metabolism in human liver S9 fraction assessed as M4 metabolite level at 100 uM after 6 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1280136	Binding affinity to human BRD2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry	2016	Journal of medicinal chemistry, Feb-25, Volume: 59, Issue:4	New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
AID1547248	Antiproliferative activity against human DLD1 cells assessed as reduction in cell viability measured after 24 to 48 hrs by MTT assay	2020	Journal of medicinal chemistry, 04-09, Volume: 63, Issue:7	Discovery of Thieno[2,3-
AID1821732	Binding affinity CBP (unknown origin) incubated for 1 hr by TR-FRET assay	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site.
AID1594416	Antifibrotic activity against human HLF1 cells assessed as reduction in cell growth measured after 48 hrs by MTT assay	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID1591809	Inhibition of BRD4 bromodomain 2 (unknown origin) incubated for 30 mins by ELISA	2019	Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16	Design, synthesis and biological evaluation of hypolipidemic compounds based on BRD4 inhibitor RVX-208.
AID752980	Drug metabolism in New Zealand White rabbit liver microsomes assessed as M4 metabolite level at 100 uM after 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1280138	Binding affinity to human BRD4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry	2016	Journal of medicinal chemistry, Feb-25, Volume: 59, Issue:4	New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
AID1827531	Cytotoxicity against human NB-4 cells assessed as reduction in cell viability incubated for 72 hrs	2022	Journal of medicinal chemistry, 04-14, Volume: 65, Issue:7	CRCM5484: A BET-BDII Selective Compound with Differential Anti-leukemic Drug Modulation.
AID1280135	Binding affinity to human BRD2 bromodomain 1 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry	2016	Journal of medicinal chemistry, Feb-25, Volume: 59, Issue:4	New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
AID1358023	Anti-inflammatory activity in poly(I:C)-induced airway inflammation C57BL/6 mouse model assessed as reduction in mIL6 expression in lung at 10 mg/kg, ip administered 1 day prior to poly(I:C) stimulation and redosed on day 2 followed by poly(I:C) stimulati	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID1606746	Binding affinity to recombinant BRDT BD1 (unknown origin) incubated for 1 hr by TR-FRET assay	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
AID752941	Drug metabolism in New Zealand White rabbit liver microsomes assessed per mg/ml of protein at 2 mM after 24 hrs by LC-MS/MS analysis in presence of 25 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752975	Drug metabolism in calf liver microsomes assessed as M4 metabolite level at 100 uM after 6 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1821728	Binding affinity BRD3 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site.
AID1462214	Inhibition of human BRD4 bromo domain 2	2017	Bioorganic & medicinal chemistry letters, 09-01, Volume: 27, Issue:17	Structure-based design, synthesis and in vitro antiproliferative effects studies of novel dual BRD4/HDAC inhibitors.
AID752963	Drug metabolism in Sprague-Dawley rat liver S9 fraction assessed as M4 metabolite level at 100 uM after 1 hr by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1606745	Binding affinity to recombinant BRD3 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
AID752970	Activity at human recombinant glucuronyl transferase at 100 uM after 1 to 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1594414	Induction of apoptosis in human A375 cells at 10 uM measured after 24 hrs by Annexin V-FITC/propidium iodide staining based fluorescence microscopic analysis	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID1559435	Inhibition of LPS-induced NO overproduction in mouse RAW264.7 cells at 1 uM incubated for 2 hrs followed by LPS stimulation and measured after 22 hrs by Griess reagent based assay relative to control	2019	Journal of medicinal chemistry, 12-26, Volume: 62, Issue:24	Discovery of Benzo[
AID752926	Drug metabolism in calf liver microsomes assessed per 4 mg/ml of protein at 0.5 mM after 24 hrs by LC-MS/MS analysis in presence of 5 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1478045	Induction of autophagy in human MCF7 cells assessed as downregulation of p62/SQSTM1 expression at 150 uM by Western blot analysis	2017	Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24	Discovery of a Small-Molecule Bromodomain-Containing Protein 4 (BRD4) Inhibitor That Induces AMP-Activated Protein Kinase-Modulated Autophagy-Associated Cell Death in Breast Cancer.
AID1821727	Binding affinity BRD2 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site.
AID752962	Drug metabolism in Sprague-Dawley rat liver S9 fraction assessed as M4 metabolite level at 100 uM after 6 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1460671	Inhibition of recombinant human His6-tagged BRD2 bromodomain 2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells	2017	Journal of medicinal chemistry, 06-08, Volume: 60, Issue:11	Drug Discovery Targeting Bromodomain-Containing Protein 4.
AID752948	Drug metabolism in New Zealand White rabbit liver microsomes assessed per 4 mg/ml of protein at 2 mM after 24 hrs by LC-MS/MS analysis in presence of 5 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1375120	Chromatographic hydrophobicity index, log D of the compound at pH 7.4 by HPLC method	2018	Journal of medicinal chemistry, 05-24, Volume: 61, Issue:10	Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain.
AID1594411	Antiproliferative activity against human MCF7 cells assessed as reduction in cell growth measured after 48 hrs by MTT assay	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID752943	Drug metabolism in New Zealand White rabbit liver microsomes assessed per 4 mg/ml of protein at 2 mM after 24 hrs by LC-MS/MS analysis in presence of 25 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752930	Drug metabolism in New Zealand White rabbit liver S9 fraction assessed per mg/ml of protein at 0.5 mM after 24 hrs by LC-MS/MS analysis in presence of 25 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1357988	Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG56 RNA expression preincubated for 24 hrs followed by poly(I:C) addition and measured after 4 hrs by SYBR green dye-based qRT-PCR analysis	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID1859897	Binding affinity to human BRD4 BD2 assessed as dissociation constant by ITC analysis	2022	European journal of medicinal chemistry, Aug-05, Volume: 238	Discovery of 2-((2-methylbenzyl)thio)-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carbonitrile as a novel and effective bromodomain and extra-terminal (BET) inhibitor for the treatment of sepsis.
AID752946	Drug metabolism in New Zealand White rabbit liver microsomes assessed per mg/ml of protein at 2 mM after 24 hrs by LC-MS/MS analysis in presence of 5 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
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.
AID1547247	Antiproliferative activity against human SW620 cells assessed as reduction in cell viability measured after 24 to 48 hrs by MTT assay	2020	Journal of medicinal chemistry, 04-09, Volume: 63, Issue:7	Discovery of Thieno[2,3-
AID1534669	Inhibition of recombinant full length human N-terminal His6-tagged BRD4 (2 to 1362 residues) expressed in baculovirus infected insect cells using histone H4 peptide as substrate by alpha screen assay	2019	European journal of medicinal chemistry, Feb-01, Volume: 163	Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors.
AID1375118	Displacement of (+)-JQ1 from 6H-Thr BRD4 Y97A mutant BD2 (unknown origin) after 30 mins by TR-FRET assay	2018	Journal of medicinal chemistry, 05-24, Volume: 61, Issue:10	Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain.
AID1594422	Inhibition of BRD4 in human HLF1 cells assessed as reduction in collagen-1 mRNA expression at 10 uM measured after 24 hrs by RT-PCR analysis	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID1606739	Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible IL-6 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for 4 hrs by qRT-PCR analysis	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
AID1477945	Antiproliferative activity against human MDA-MB-231 cells after 24 hrs by MTT assay	2017	Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24	Discovery of a Small-Molecule Bromodomain-Containing Protein 4 (BRD4) Inhibitor That Induces AMP-Activated Protein Kinase-Modulated Autophagy-Associated Cell Death in Breast Cancer.
AID1606737	Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible IL-6 gene expression at 10 uM pre-incubated for 24 hrs before poly(I:C) stimulation for 4 hrs by qRT-PCR analysis relative to control	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
AID752968	Drug metabolism in Beagle dog liver S9 fraction assessed as M4 metabolite level at 100 uM after 6 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1600708	Inhibition of human recombinant N-terminal 6his-tagged BRD4 bromodomain 2 expressed in Escherichia coli BL21(DE3) using using H4 peptide as substrate by alphascreen assay	2019	Bioorganic & medicinal chemistry letters, 10-01, Volume: 29, Issue:19	Design, synthesis and biological evaluation of 3,5-dimethylisoxazole and pyridone derivatives as BRD4 inhibitors.
AID1591813	Antihyperlipidemic activity in po dosed Sprague-Dawley rat assessed as increase in HDL-C level administered twice daily for 1 week measured 2 hrs post-last dose by HPLC analysis relative to control	2019	Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16	Design, synthesis and biological evaluation of hypolipidemic compounds based on BRD4 inhibitor RVX-208.
AID752971	Drug metabolism in Yucatan minipig liver microsomes assessed as M4 metabolite level at 100 uM after 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752929	Drug metabolism in New Zealand White rabbit liver S9 fraction assessed per mg/ml of protein at 0.2 mM after 24 hrs by LC-MS/MS analysis in presence of 25 mM UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1821721	Antiinflammatory activity in human SAEC assessed as inhibition of Poly(I:C) induced CIG5 expression pretreated for 24 hrs followed by Poly(I:C) addition for 4 hrs by qRT-PCR analysis	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site.
AID1594406	Inhibition of biotinylated H4 K5,8,12,16Ac peptide binding to GST-tagged BRD4 bromodomain2 (unknown origin) measured after 60 mins by AlphaScreen assay	2019	Bioorganic & medicinal chemistry, 05-01, Volume: 27, Issue:9	Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
AID1513831	Inhibition of BRD4 bromodomain 2 in human A549 cells assessed as reduction in TNFalpha-induced NFkappaB transcription at 10 uM after 8 hrs by bright-glo luciferase reporter gene assay relative to control	2018	Journal of medicinal chemistry, 10-25, Volume: 61, Issue:20	Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
AID1549010	Selectivity index, ratio of Kd for human BRD4 BD1 to Kd for human BRD4 BD2	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of
AID752958	Drug metabolism in ICR/CD1 mouse liver S9 fraction assessed as M4 metabolite level at 100 uM after 24 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID752960	Drug metabolism in ICR/CD1 mouse liver S9 fraction assessed as M4 metabolite level at 100 uM after 1 hr by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
AID1513788	Inhibition of human 6x-His-tagged BRD4 bromodomain 2 expressed in Escherichia coli	2018	Journal of medicinal chemistry, 10-25, Volume: 61, Issue:20	Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
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.
AID1368368	Cytotoxicity against human NALM16 cells assessed as reduction in cell viability after 5 days by CellTiter-Glo assay	2018	Bioorganic & medicinal chemistry, 01-01, Volume: 26, Issue:1	Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
AID1559489	Displacement of tetra-acetylated histone H4 peptide from recombinant human N-terminal His-tagged BRD4 BD1 incubated for 2 hrs by TR-FRET assay	2019	Journal of medicinal chemistry, 12-26, Volume: 62, Issue:24	Discovery of Benzo[
AID1549007	Binding affinity to human BRD4 BD2 by isothermal calorimetry analysis	2020	Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10	Discovery of
AID1881999	Binding affinity to BRD4 BD2 (unknown origin) by isothermal titration calorimetry
AID1357997	Inhibition of BRDT BD1 (unknown origin) after 1 hr by TR-FRET assay	2018	European journal of medicinal chemistry, May-10, Volume: 151	Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation.
AID752990	Drug metabolism in cynomolgus monkey liver microsomes assessed as M4 metabolite level at 100 uM after 6 hrs by LC-MS/MS analysis in presence of UDPGA	2013	European journal of medicinal chemistry, Jun, Volume: 64	In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).
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.
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.
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.
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.
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.
AID1508612	NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling	2017	Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3	Highly predictive and interpretable models for PAMPA permeability.
AID1508591	NCATS Rat Liver Microsome Stability Profiling	2020	Scientific reports, 11-26, Volume: 10, Issue:1	Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
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.
AID1645848	NCATS Kinetic Aqueous Solubility Profiling	2019	Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14	Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	2013	Proceedings of the National Academy of Sciences of the United States of America, Dec-03, Volume: 110, Issue:49	RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
AID1346122	Human bromodomain containing 3 (Bromodomain kinase (BRDK) family)	2013	PloS one, , Volume: 8, Issue:12	RVX-208, an inducer of ApoA-I in humans, is a BET bromodomain antagonist.
AID1345665	Human bromodomain containing 4 (Bromodomain kinase (BRDK) family)	2013	PloS one, , Volume: 8, Issue:12	RVX-208, an inducer of ApoA-I in humans, is a BET bromodomain antagonist.
AID1345662	Human bromodomain containing 2 (Bromodomain kinase (BRDK) family)	2013	PloS one, , Volume: 8, Issue:12	RVX-208, an inducer of ApoA-I in humans, is a BET bromodomain antagonist.
AID1346122	Human bromodomain containing 3 (Bromodomain kinase (BRDK) family)	2013	Proceedings of the National Academy of Sciences of the United States of America, Dec-03, Volume: 110, Issue:49	RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
[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	55 (59.78)	24.3611
2020's	37 (40.22)	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	13 (14.13%)	5.53%
Reviews	15 (16.30%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	64 (69.57%)	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
b 844-39 [no description available]	2.15	1	0	diarylmethane
pk 11195 PK-11195 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine	2.89	3	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
jtv519 [no description available]	2.89	3	0
alprazolam Alprazolam: A triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of PANIC DISORDERS, with or without AGORAPHOBIA, and in generalized ANXIETY DISORDERS. (From AMA Drug Evaluations Annual, 1994, p238). alprazolam : A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug.	2.89	3	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
dan 2163 [no description available]	2.89	3	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
amlexanox amlexanox: SRA-A antagonist;structure given in first source. amlexanox : A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position.	2.89	3	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
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.	4.7	5	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
benzbromarone Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.	2.89	3	0	1-benzofurans; aromatic ketone	uricosuric drug
bisindolylmaleimide i bisindolylmaleimide I: a bis(indolyl)maleimide	2.89	3	0
bufexamac Bufexamac: A benzeneacetamide with anti-inflammatory, analgesic, and antipyretic action. It is administered topically, orally, or rectally.. bufexamac : A hydroxamic acid derived from phenylacetamide in which the benzene moiety is substituted at C-4 by a butoxy group. It has anti-inflammatory, analgesic, and antipyretic properties.	2.89	3	0	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cadralazine cadralazine: structure given in first source	2.89	3	0	organic molecular entity
verapamil Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.	2.25	1	0	aromatic ether; nitrile; polyether; tertiary amino compound
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
carvedilol [no description available]	2.63	2	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
cetirizine Cetirizine: A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.. cetirizine : A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively.	2.63	2	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
chlorcyclizine chlorcyclizine: was heading 1964-94 (Prov 1964-73); CHLOROCYCLIZINE & HISTACHLORAZINE were see CHLORCYCLIZINE 1977-94; use PIPERAZINES to search CHLORCYCLIZINE 1966-94; histamine H1-blocker used both orally and topically in allergies and also for the prevention of motion sickness	2.89	3	0	diarylmethane
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
ci 994 tacedinaline: oral cytostatic drug with impressive differential activity against leukemic cells & normal stem-cells. tacedinaline : A benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers.	2.89	3	0	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
clofibrate angiokapsul: contains clofibrate & insoitolnicotinate	2.21	1	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
cloperastine cloperastine: RN given refers to parent cpd	4.04	2	0	diarylmethane
cyclosporine cyclosporin A : A cyclic nonribosomal peptide of eleven amino acids; an immunosuppressant drug widely used in post-allogeneic organ transplant to reduce the activity of the patient's immune system, and therefore the risk of organ rejection. Also causes reversible inhibition of immunocompetent lymphocytes in the G0- and G1-phase of the cell cycle.	2.59	2	0
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
fenbendazole Fenbendazole: Antinematodal benzimidazole used in veterinary medicine.. fenbendazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted at positons 2 and 5 by (methoxycarbonyl)amino and phenylsulfanediyl groups, respectively. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections.	2.89	3	0	aryl sulfide; benzimidazoles; carbamate ester	antinematodal drug
berotek Fenoterol: A synthetic adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic.. fenoterol : A member of the class resorcinols that is 5-(1-hydroxyethyl)benzene-1,3-diol in which one of the methyl hydrogens is replaced by a 1-(4-hydroxyphenyl)propan-2-amino group. A beta2-adrenergic agonist, it is used (as the hydrobromide salt) as a bronchodilator in the management of reversible airway obstruction.	2.15	1	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
gemfibrozil [no description available]	2.21	1	0	aromatic ether	antilipemic drug
go 6976 [no description available]	2.89	3	0	indolocarbazole; organic heterohexacyclic compound	EC 2.7.11.13 (protein kinase C) inhibitor
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.	4.7	5	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
homochlorocyclizine homochlorocyclizine: RN given refers to parent cpd	2.89	3	0	diarylmethane
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
hydroxyzine Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative.. hydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively.	2.89	3	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
ifenprodil ifenprodil: NMDA receptor antagonist	4.7	5	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
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone ZM39923: structure in first source	2.89	3	0	naphthalenes
ketamine Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group.	2.89	3	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketoprofen Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.	2.89	3	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; 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
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide 4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide: structure in first source. 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide : A benzamide resulting from the formal condensation of the carboxy group of 4-(dimethylamino)benzoic acid with the amino group of 7-amino-N-hydroxyheptanamide. It is a potent inhibitor of histone deacetylases and induces cell cycle arrest and apoptosis in several human cancer cell lines.	3.41	1	0	benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
mebendazole Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.	2.89	3	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
mephenesin Mephenesin: A centrally acting muscle relaxant with a short duration of action.. 1-(2-methylphenyl)glycerol : A glycerol ether in which a single 2-methylphenyl group is attached at position 1 of glycerol via an ether linkage.	2.89	3	0	aromatic ether; glycerol ether
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.	2.89	3	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
oxibendazole oxibendazole: structure	2.89	3	0	benzimidazoles; carbamate ester
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine 4-(2'-methoxyphenyl)-1-(2'-(N-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine: a 5-HT(1A) ligand; structure in first source	2.89	3	0
perphenazine Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.. perphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10.	2.89	3	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
pimobendan pimobendan: produces arterial & venous dilatation in dogs; structure given in first source	2.89	3	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; 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
ag 1879 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitor	2.89	3	0	aromatic amine; monochlorobenzenes; pyrazolopyrimidine	beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
probucol Probucol: A drug used to lower LDL and HDL cholesterol yet has little effect on serum-triglyceride or VLDL cholesterol. (From Martindale, The Extra Pharmacopoeia, 30th ed, p993).. probucol : A dithioketal that is propane-2,2-dithiol in which the hydrogens attached to both sulfur atoms are replaced by 3,5-di-tert-butyl-4-hydroxyphenyl groups. An anticholesteremic drug with antioxidant and anti-inflammatory properties, it is used to treat high levels of cholesterol in blood.	3.16	1	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one [no description available]	2.59	2	0	indoles
ro 31-8220 Ro 31-8220: a protein kinase C inhibitor	2.89	3	0	imidothiocarbamic ester; indoles; maleimides	EC 2.7.11.13 (protein kinase C) inhibitor
ropinirole [no description available]	2.89	3	0	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist
sb 202190 4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinase	3.25	1	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
vorinostat Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).	4.56	6	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
thalidomide Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.. thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.. 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.	2.11	1	0	phthalimides; piperidones
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine [no description available]	2.59	2	0	stilbenoid
trifluperidol Trifluperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in the treatment of PSYCHOSES including MANIA and SCHIZOPHRENIA. (From Martindale, The Extra Pharmacopoeia, 30th ed, p621)	2.15	1	0	aromatic ketone
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source. lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation.	2.89	3	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zotepine zotepine: structure	2.89	3	0	dibenzothiepine; tertiary amino compound	alpha-adrenergic drug; second generation antipsychotic; serotonergic drug
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
colchicine (S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions.	2.89	3	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
benziodarone benziodarone: minor descriptor (75-89); on-line & INDEX MEDICUS search BENZOFURANS (68-89) & IODOBENZOATES (74)	2.89	3	0	aromatic ketone
cyclizine Cyclizine: A histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935). cyclizine : An N-alkylpiperazine in which one nitrogen of the piperazine ring is substituted by a methyl group, while the other is substituted by a diphenylmethyl group.	2.21	1	0	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
trehalose alpha,alpha-trehalose : A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon.	2.89	3	0	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
triclocarban triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure. triclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively.	2.89	3	0	dichlorobenzene; monochlorobenzenes; phenylureas	antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic
4-tert-octylphenol 4-tert-octylphenol: structure given in first source	2.89	3	0	alkylbenzene
quinazolines Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.. quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.	12.21	24	6	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
ethamivan ethamivan: minor descriptor (65-72); major descriptor (73-86); on-line search BENZAMIDES (66-86); INDEX MEDICUS search BENZAMIDES (65-72); ETHAMIVAN (73-86). etamivan : Phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse.	2.89	3	0	methoxybenzenes; phenols
azacitidine Azacitidine: A pyrimidine analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent.. 5-azacytidine : An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia.	3.41	1	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
methysergide Methysergide: An ergot derivative that is a congener of LYSERGIC ACID DIETHYLAMIDE. It antagonizes the effects of serotonin in blood vessels and gastrointestinal smooth muscle, but has few of the properties of other ergot alkaloids. Methysergide is used prophylactically in migraine and other vascular headaches and to antagonize serotonin in the carcinoid syndrome.. methysergide : A synthetic ergot alkaloid, structurally related to the oxytocic agent methylergonovine and to the potent hallucinogen LSD and used prophylactically to reduce the frequency and intensity of severe vascular headaches.	2.89	3	0	ergoline alkaloid
emetine Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.. emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties.	2.89	3	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
podophyllotoxin Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA.	2.89	3	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
ferrocin c N-methyl-2-quinolone: structure in first source	2.13	1	0
etonitazene etonitazene: was heading 1979-94 (see under BENZIMIDAZOLES 1979-90); ETONITAZIN was see ETONITAZENE 1979-94; use BENZIMIDAZOLES to search ETONITAZENE 1979-94; narcotic analgesic similar to morphine in action; used mainly to study narcotic habituation, tolerance, and withdrawal in laboratory animals	2.89	3	0
clothiapine clothiapine: was heading 1975-94 (was see under DIBENZOTHIAZEPINES 1975-90); CLOTIAPINE was see CLOTHIAPINE 1978-94; use DIBENZOTHIAZEPINES to search CLOTHIAPINE 1975-94; antipsychotic similar to clozapine	2.89	3	0	dibenzothiazepine
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
benperidol Benperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It has been used in the treatment of aberrant sexual behavior. (From Martindale, The Extra Pharmacopoeia, 30th ed, p567)	2.89	3	0	aromatic ketone
7-hydroxychlorpromazine 7-hydroxychlorpromazine: RN given refers to parent cpd	2.89	3	0	phenothiazines
nitroxoline nitroxoline: structure in Merck Index, 9th ed, #6475; RN given refers to parent cpd. nitroxoline : A monohydroxyquinoline in which the hydroxy group is positioned at C-8 with a nitro group trans to it at C-5.	2.21	1	0	C-nitro compound; monohydroxyquinoline	antifungal agent; antiinfective agent; antimicrobial agent; renal agent
camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source	2.89	3	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
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
thenalidine thenalidine: antihistaminic, antipruritic; RN in Chemline for thenalidine calcium: 67250-62-8; structure	2.89	3	0	dialkylarylamine; tertiary amino compound
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
bromocriptine Bromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion.	2.89	3	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.	3.16	1	0	benzenes; phenyl acetates
dexchlorpheniramine dexchlorpheniramine: RN given refers to parent cpd(S)-isomer	2.89	3	0	chlorphenamine
dv 1006 [no description available]	2.89	3	0
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
climbazole 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one : A ketone that is butan-2-one substituted by a 4-chlorophenoxy and a 1H-imidazol-1-yl group at position 1 and 2 methyl groups at position 3.	2.89	3	0	aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes
triadimenol triadimenol : A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts.	2.89	3	0	aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite
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
amonafide xanafide: salt formulation of amonafide; DNA-intercalating agent and topoisomerase II inhibitor	2.89	3	0	isoquinolines
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
flupirtine flupirtine: RN given refers to parent cpd without isomeric designation	2.89	3	0	aminopyridine
chaetochromin chaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A	2.89	3	0
rimcazole rimcazole: RN given refers to (cis)-isomer; structure given in first source	4.04	2	0	carbazoles
enoximone Enoximone: A selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with CONGESTIVE HEART FAILURE.	2.89	3	0	aromatic ketone
aripiprazole Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression.. aripiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders.	2.89	3	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
atorvastatin [no description available]	4.51	1	1	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
benzylaminopurine benzylaminopurine: a plant growth regulator. N-benzyladenine : A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group.	2.11	1	0	6-aminopurines	cytokinin; plant metabolite
aloxistatin aloxistatin: a membrane-permeable cysteine protease inhibitor. aloxistatin : An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide.	2.21	1	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
indocate [no description available]	2.89	3	0
N(4)-acetylsulfathiazole N(4)-acetylsulfathiazole : A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 1,3-thiazol-2-yl group at the nitrogen atom. It is a metabolite of sulfathiazole.	2.89	3	0	1,3-thiazoles; acetamides; sulfonamide	marine xenobiotic metabolite
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.	2.1	1	0	1,2,3-triazole
cyclizine hydrochloride [no description available]	2.59	2	0
2,3-trimethylene-4-quinazolone 2,3-trimethylene-4-quinazolone: structure in first source	2.89	3	0	quinazolines
1,3-dimethyluric acid 1,3-dimethyluric acid : An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trionesubstituted by methyl groups at N-1 and N-3.	2.89	3	0	oxopurine	metabolite
danofloxacin [no description available]	2.89	3	0	quinolines
nitrefazole [no description available]	2.89	3	0	imidazoles
methotrimeprazine Methotrimeprazine: A phenothiazine with pharmacological activity similar to that of both CHLORPROMAZINE and PROMETHAZINE. It has the histamine-antagonist properties of the antihistamines together with CENTRAL NERVOUS SYSTEM effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604). methotrimeprazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a (2R)-3-(dimethylamino)-2-methylpropyl group and a methoxy group at positions 10 and 2 respectively.	2.89	3	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
honokiol [no description available]	2.89	3	0	biphenyls
9-methoxyellipticine 9-methoxyellipticine: RN given refers to parent cpd	2.89	3	0
3-aminophenoxazone 3-aminophenoxazone: also inhibits sulfatase; structure	2.89	3	0	phenoxazine
3-deazaneplanocin 3-deazaneplanocin: S-adenosylhomocysteine hydrolase antagonist	2.89	3	0
tryptanthrine tryptanthrine: minor constituent of traditional Chinese medicine qing dai	2.89	3	0	alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound
oxazolidin-2-one Oxazolidinones: Derivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents.. oxazolidin-2-one : An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2.. oxazolidinone : An oxazolidine containing one or more oxo groups.	3.16	1	0	carbamate ester; oxazolidinone	metabolite
2-chlorodiazepam [no description available]	2.89	3	0
Polycartine B [no description available]	2.89	3	0	phenazines
aminoquinuride dihydrochloride [no description available]	2.89	3	0
thioproperazine mesylate [no description available]	2.89	3	0	phenothiazines
n(6)-(delta(2)-isopentenyl)adenine N(6)-dimethylallyladenine : A 6-isopentenylaminopurine in which has the isopentenyl double bond is located between the 2 and 3 positions of the isopentenyl group.	2.89	3	0	6-isopentenylaminopurine	cytokinin
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
4-methyl-N-(phenylmethyl)benzenesulfonamide [no description available]	2.89	3	0	sulfonamide
zpck ZPCK: alkylates histidine residue at active center of bovine chymotrypsin	2.63	2	0
sr141716 [no description available]	2.89	3	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
indolactam v indolactam V: only the (-)-isomer of indolactam V showed carcinogenic activity; structure given in first source	3.41	1	0	indoles
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide [no description available]	2.59	2	0	aromatic ketone
fingolimod fingolimod : An aminodiol that consists of propane-1,3-diol having amino and 2-(4-octylphenyl)ethyl substituents at the 2-position. It is a sphingosine 1-phosphate receptor modulator used for the treatment of relapsing-remitting multiple sclerosis. A prodrug, fingolimod is phosphorylated by sphingosine kinase to active metabolite fingolimod-phosphate, a structural analogue of sphingosine 1-phosphate.	2.89	3	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
tesmilifene [no description available]	2.89	3	0	diarylmethane
sr 27897 SR 27897: structure given in first source; a CCK(A) receptor antagonist	2.89	3	0	indolyl carboxylic acid
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine N-(N-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine: inhibits calcium-activated neutral protease; see also record for E-64; RN given refers to (2-S-(2alpha,3beta)(R*)-isomer)	2.89	3	0	leucine derivative
norketamine norketamine: metabolite of ketamine; RN given refers to cpd without isomeric designation	2.89	3	0	organochlorine compound
indatraline indatraline: RN given for (trans)-isomer; structure in first source	2.63	2	0	indanes
bd 1008 BD 1008: structure in first source	4.04	2	0	primary amine
methotrexate [no description available]	2.89	3	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
salvinorin a salvinorin A: from the herb, Salvia divinorum	2.21	1	0	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide 4-diethoxyphosphorylmethyl-N-(4-bromo-2-cyanophenyl)benzamide: increases lipoprotein lipase activity with resulting elevation of high density lipoprotein cholesterol	2.89	3	0
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide N,N-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide: binds with high affinity to glial mitochondrial diazepam binding inhibitor receptors & increases mitochondrial steroidogenesis	2.89	3	0	phenylindole
l 741626 3-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first source	2.89	3	0	piperidines
dx 8951 [no description available]	2.89	3	0	pyranoindolizinoquinoline
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
varespladib [no description available]	3.16	1	0	aromatic ether; benzenes; dicarboxylic acid monoamide; indoles; monocarboxylic acid; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor
tipifarnib [no description available]	2.89	3	0	imidazoles; monochlorobenzenes; primary amino compound; quinolone	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
cyc 202 seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.	2.89	3	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
avasimibe [no description available]	2.89	3	0	monoterpenoid
sb 203580 [no description available]	2.17	1	0	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent
l 163191 [no description available]	2.89	3	0
dizocilpine [no description available]	2.89	3	0	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
s-benzylcysteine [no description available]	2.89	3	0	S-aryl-L-cysteine zwitterion
chelidonine chelidonine: benzophenanthridine derived from scoulerine from Chelidonium majus; RN given refers to parent cpd (chelidonine, (5bR-(5balpha,6beta,12alpha))-isomer)	2.89	3	0	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid
lapatinib [no description available]	2.89	3	0	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
succinobucol succinobucol: monosuccinic acid ester of probucol; a metabolically stable modification of probucol, an equipotent antioxidant to probucol but is pharmacologically distinct	3.16	1	0	benzoate ester; phenols
roxindole [no description available]	2.89	3	0	indoles	alpha-adrenergic antagonist; serotonergic drug
conidendrin [no description available]	2.89	3	0
Porfiromycine [no description available]	2.89	3	0	mitomycin
nsc 95397 [no description available]	2.89	3	0	1,4-naphthoquinones
4-methyl-2-quinazolinamine 4-methyl-2-quinazolinamine: from Streptomyces of TCM plant; structure in first source	2.89	3	0
2-glycineamide-5-chlorophenyl-2-pyrryl ketone [no description available]	2.89	3	0
niguldipine hydrochloride [no description available]	2.63	2	0
2,5-bis(5-hydroxymethyl-2-thienyl)furan [no description available]	2.89	3	0	thiophenes
ritonavir Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.. ritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.	2.89	3	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
bardoxolone methyl methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate: structure in first source	2.21	1	0	cyclohexenones
Destruxin B [no description available]	2.89	3	0	cyclodepsipeptide
tosylphenylalanyl chloromethyl ketone Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process.. N-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone.	2.89	3	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
trichostatin a trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES	3.76	2	0	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
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
zeatin Zeatin: An aminopurine factor in plant extracts that induces cell division. (Grant & Hackh's Chemical Dict, 5th ed)	2.11	1	0	zeatin	plant metabolite
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
12-deoxyphorbol 13-acetate [no description available]	3.41	1	0	phorbol ester	metabolite
sitafloxacin [no description available]	2.21	1	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
2'-c-methylcytidine 2'-C-methylcytidine: structure in first source	2.89	3	0
jp-1302 [no description available]	2.89	3	0
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one [no description available]	2.89	3	0	benzodiazepine
tenatoprazole Tenatoprazole: structure in first source	2.89	3	0	imidazopyridine
s 1033 [no description available]	2.89	3	0	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
5-[(2-fluoroanilino)methyl]-8-quinolinol [no description available]	2.89	3	0	hydroxyquinoline
benidipine hydrochloride [no description available]	2.59	2	0
benidipine benidipine: RN refers to (R,R)-(+-)-isomer	2.21	1	0
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one [no description available]	2.89	3	0	quinazolines
chlorprothixene (E)-chlorprothixene : A chlorprothixene in which the double bond adopts an (E)-configuration.	2.89	3	0	chlorprothixene
jrf 12 N2,N4-dibenzylquinazoline-2,4-diamine: a selective, potent, reversible, and ATP-competitive p97 inhibitor	4.7	5	0
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester [no description available]	2.89	3	0	methoxybenzenes; substituted aniline
3-hydroxypyridine, sodium salt [no description available]	2.89	3	0
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide [no description available]	2.89	3	0	naphthalenecarboxamide
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine) [no description available]	2.21	1	0	benzimidazoles
5-[(2-bromoanilino)methyl]-8-quinolinol [no description available]	3.11	4	0	hydroxyquinoline
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide 3-amino-N-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide: structure in first source	2.89	3	0
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline [no description available]	2.89	3	0	aromatic amine
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide [no description available]	2.89	3	0	piperidinecarboxamide
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol [no description available]	2.89	3	0	hydroxyquinoline
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide [no description available]	2.89	3	0	acetamides; anilide
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide [no description available]	2.89	3	0	aromatic amide; thiophenes
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone [no description available]	2.89	3	0	dimethoxybenzene
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide [no description available]	2.89	3	0	aromatic amide
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide [no description available]	2.89	3	0	aromatic ether
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione [no description available]	2.89	3	0	maleimides
Src Inhibitor-1 Src Inhibitor-1 : A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases.	2.89	3	0	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one [no description available]	2.89	3	0	dimethoxybenzene
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide [no description available]	2.89	3	0	quinolines
4E2RCat [no description available]	4.04	2	0	organic molecular entity
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine [no description available]	2.89	3	0	pyrroles
digoxin Digoxin: A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666). digoxin : A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small.	2.13	1	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
bi-78d3 [no description available]	2.89	3	0	aryl sulfide
kartogenin kartogenin: promotes chondrocyte differentiation; structure in first source	2.89	3	0
toremifene Toremifene: A first generation selective estrogen receptor modulator (SERM). Like TAMOXIFEN, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue.	2.21	1	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
vx-745 [no description available]	2.89	3	0	aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine	anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
dasatinib N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source. dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).	2.89	3	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
ha 1100 HA 1100: intracellular calcium antagonist	3.51	1	0
zd 6474 CH 331: structure in first source	2.89	3	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide [no description available]	2.63	2	0	indoles
nih-12848 NIH-12848: inhibits phosphatidylinositol 5-phosphate 4-kinase gamma; structure in first source	2.89	3	0
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide [no description available]	2.89	3	0	quinazolines
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone [no description available]	2.89	3	0	benzimidazoles
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile [no description available]	2.89	3	0	imidazopyridine
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one [no description available]	2.89	3	0	aromatic ketone
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester [no description available]	2.89	3	0	oxopurine
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester [no description available]	2.89	3	0	organonitrogen compound; organosulfur compound
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide [no description available]	2.89	3	0	quinolines
LSM-1924 [no description available]	2.89	3	0	organic heterotricyclic compound; organooxygen compound
ferrostatin-1 ferrostatin-1: inhibits ferroptosis, an iron-dependent form of nonapoptotic cell death; structure in first source. ferrostatin-1 : An ethyl ester resulting from the formal condensation of the carboxy group of 3-amino-4-(cyclohexylamino)benzoic acid with ethanol. It is a potent inhibitor of ferroptosis, a distinct non-apoptotic form of cell death caused by lipid peroxidation. It is also a radical-trapping antioxidant and has the ability to reduce the accumulation of lipid peroxides and chain-carrying peroxyl radicals.	2.89	3	0	ethyl ester; primary arylamine; substituted aniline	antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine [no description available]	2.89	3	0	C-nitro compound
rabeprazole(1-) [no description available]	2.63	2	0	organic nitrogen anion
ncgc00099374 [no description available]	2.89	3	0
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide [no description available]	2.89	3	0	benzamides
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
luteolin [no description available]	2.89	3	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
cyclosporine [no description available]	2.21	1	0
kaempferol [no description available]	2.89	3	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
genistein [no description available]	2.89	3	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
mycophenolate mofetil mycophenolate mofetil : A carboxylic ester resulting from the formal condensation between the carboxylic acid group of mycophenolic acid and the hydroxy group of 2-(morpholin-4-yl)ethanol. In the liver, it is metabolised to mycophenolic acid, an immunosuppressant for which it is a prodrug. It is widely used to prevent tissue rejection following organ transplants as well as for the treatment of certain autoimmune diseases.	2.89	3	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
bruceantin [no description available]	2.89	3	0	triterpenoid
chrysin chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.	2.89	3	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
daidzein [no description available]	2.89	3	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
neticonazole neticonazole: RN refers to (E)-isomer. neticonazole : An enamine that is ethene which is substituted at positions 1, 1, and 2 by o-pentoxyphenyl, 1H-imidazol-1-yl, and methylthio groups, respectively (the E isomer). An inhibitor of P450-dependent C-14alpha-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan (generally as the corresponding hydrochloride salt) as an antifungal drug for the treatment of superficial skin infections.	2.89	3	0	aromatic ether; benzenes; conazole antifungal drug; enamine; imidazole antifungal drug; imidazoles; methyl sulfide	antifungal drug; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine synaptamide: structurally similar to the endocannabinoid N-arachidonoylethanolamine (anandamide). N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine : An N-acylethanolamine 22:6 that is the ethanolamide of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid.	2.89	3	0	endocannabinoid; N-acylethanolamine 22:6
n-oleoylethanolamine N-oleoylethanolamine: ceramidase inhibitor. oleoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide.	2.89	3	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
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
alpha-zearalenol [no description available]	2.89	3	0	macrolide
su 9516 [no description available]	2.89	3	0
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine [no description available]	2.89	3	0	triazolopyrimidines
sb 277011 SB 277011: structure in first source	2.89	3	0
sb 223412 SB 223412: SB-223412 is the (S)-(-)-isomer; RN given for (S)-isomer; structure in first source	2.89	3	0
sr 59230a [no description available]	2.89	3	0	tetralins
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide [no description available]	2.89	3	0	pyrimidines
kn 62 KN 62: inhibitor of Ca/calmodulin-dependent protein kinase II	2.89	3	0	piperazines
MeJA [no description available]	2.89	3	0	Jasmonate derivatives
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)- 1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-: structure in first source	2.89	3	0
pd 161570 PD 161570: structure in first source	2.89	3	0
su 11248 [no description available]	2.15	1	0	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
palbociclib [no description available]	2.89	3	0	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
jnj-7706621 [no description available]	2.89	3	0	sulfonamide
romidepsin depsipeptide : A natural or synthetic compound having a sequence of amino and hydroxy carboxylic acid residues (usually alpha-amino and alpha-hydroxy acids), commonly but not necessarily regularly alternating.	2.15	1	0	cyclodepsipeptide; heterocyclic antibiotic; organic disulfide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) 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.	4.33	3	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
virginiamycin factor s1 virginiamycin factor S1: a component of VIRGINIAMYCIN; was EP to VIRGINIAMYCIN 1992-2001. virginiamycin S1 : A cyclodepsipeptide that is N-(3-hydroxypicolinoyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine in which the carboxy group of the 2-phenylglycine moiety has undergone formal intramolecular condensation with the hydroxy group of the N-(3-hydroxypicolinoyl)-L-threonyl to give the corresponding 19-membered ring lactone. It is one of the two major components of the antibacterial drug virginiamycin, produced by Streptomyces virginiae, S. loidensis, S. mitakaensis, S. pristina-spiralis, S. ostreogriseus, and others.	2.89	3	0	cyclodepsipeptide; macrolide antibiotic	antibacterial drug; bacterial metabolite
pepstatin pepstatin: inhibits the aspartic protease endothiapepsin	4.04	2	0	pentapeptide; secondary carboxamide	bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor
fenoterol fenoterol hydrobromide : The hydrobromide salt of fenoterol. A beta2-adrenergic agonist, it is used as a bronchodilator in the management of reversible airway obstruction.	2.63	2	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
xib 4035 XIB 4035: a GFRalpha-1 agonist; structure in first source	2.89	3	0
gw-5074 [no description available]	2.21	1	0
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
belotecan belotecan: structure in first source	2.89	3	0	pyranoindolizinoquinoline
norgestimate [no description available]	2.89	3	0	ketoxime; steroid ester; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
b 43 RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively).	2.89	3	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine [no description available]	2.89	3	0
methiazole methiazole: a parasitostatic agent	2.89	3	0	benzimidazoles; carbamate ester
sb 218795 SB 218795: structure in first source	2.89	3	0	quinolines
bvt.948 [no description available]	2.89	3	0
fk 866 N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide: inhibits nicotinamide phosphoribosyltransferase; structure in first source	2.21	1	0	benzamides; N-acylpiperidine
a 38503 [no description available]	2.89	3	0
(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
dalcetrapib dalcetrapib: inhibits cholesteryl ester transfer protein (CETP)	3.16	1	0	anilide
belinostat [no description available]	3.71	2	0	hydroxamic acid; olefinic compound; sulfonamide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
panobinostat Panobinostat: An indole and hydroxamic acid derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used as an antineoplastic agent in combination with BORTEZOMIB and DEXAMETHASONE for the treatment of MULTIPLE MYELOMA.. panobinostat : A hydroxamic acid obtained by formal condensation of the carboxy group of (2E)-3-[4-({[2-(2-methylindol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enoic acid with the amino group of hydroxylamine. A histone deacetylase inhibitor used (as its lactate salt) in combination with bortezomib and dexamethasone for the treatment of multiple myeloma.	3.71	2	0	cinnamamides; hydroxamic acid; methylindole; secondary amino compound	angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
parthenolide [no description available]	2.58	2	0	sesquiterpene lactone	drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
krn 633 N-(2-chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N'-propylurea: a VEGF receptor-2 tyrosine kinase inhibitor; structure in first source	2.89	3	0
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid [no description available]	2.89	3	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound
n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide [no description available]	3.41	1	0
gw 501516 GW 501516: a selective PPARdelta agonist; structure in first source. GW 501516 : An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively.	2.89	3	0	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist
dolastatin 10 dolastatin 10: from mollusk Dolabella auricularia; contains four amino acids, dolavaline, dolaisoleucine, dolaproine, valine and the primary amine dolaphenine; deo-dolastatin 10 is a new dolastatin 10 chiral derivative with MW of 784. dolastatin 10 : A tetrapeptide that is isolated from the sea hare Dolabella auricularia. It is a potent anticancer agent which inhibits tubulin polymerization.	2.89	3	0	1,3-thiazoles; tetrapeptide	animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent
pd 144418 [no description available]	4.04	2	0
spc-839 SPC-839: an inhibitor of activator protein 1; structure in first source	2.89	3	0
midostaurin midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.	4.7	5	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
valnemulin [no description available]	2.63	2	0
nu 7026 2-(morpholin-4-yl)benzo(h)chromen-4-one: a radiosensitizing agent that inhibits DNA-dependent protein kinase; structure in first source	2.89	3	0	organic heterotricyclic compound; organooxygen compound
osi 930 OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first source	2.89	3	0	aromatic amide
ticagrelor Ticagrelor: An adenosine triphosphate analogue and reversible P2Y12 PURINORECEPTOR antagonist that inhibits ADP-mediated PLATELET AGGREGATION. It is used for the prevention of THROMBOEMBOLISM by patients with ACUTE CORONARY SYNDROME or a history of MYOCARDIAL INFARCTION.. ticagrelor : A triazolopyrimidine that is an adenosine isostere; the cyclopentane ring is similar to ribose and the nitrogen-rich [1,2,3]triazolo[4,5-d]pyrimidine moiety resembles the nucleobase adenine. A platelet aggregation inhibitor which is used for prevention of thromboembolic events in patients with acute coronary syndrome.	2.89	3	0	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor
l 692585 [no description available]	2.89	3	0	peptide
pi103 PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first soruce	2.89	3	0	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
nnc 26-9100 NNC 26-9100: structure in first source	2.89	3	0	aminopyridine
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine [no description available]	2.89	3	0
tivozanib N-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first source	2.89	3	0	aromatic ether
hki 272 [no description available]	2.21	1	0	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide [no description available]	2.89	3	0
tae226 TAE226: an adhesion kinase inhibitor, offers an attractive therapeutic approach in ovarian carcinoma; structure in first source	2.89	3	0	morpholines
gw0742 GW 610742: structure in first source	2.89	3	0	monocarboxylic acid
6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)- [no description available]	4.41	5	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound
darapladib darapladib: a selective lipoprotein-associated phospholipase A(2) (Lp-PLA(2)) inhibitor, on biomarkers of cardiovascular (CV) risk	3.16	1	0
u 18666a 3-beta-(2-(diethylamino)ethoxy)androst-5-en-17-one: inhibits cycloartenol synthase. 3beta-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride : A hydrochloride obtained by reaction of 3beta-(2-diethylaminoethoxy)androst-5-en-17-one with one equivalent of hydrochloric acid. It is a cholesterol synthesis and transport inhibitor.	2.89	3	0	hydrochloride	antiviral agent; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; Hedgehog signaling pathway inhibitor; nicotinic antagonist; sterol biosynthesis inhibitor
sb 525334 6-(2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline: a TGF-betaR kinase inhibitor	2.89	3	0	quinoxaline derivative
bx795 BX795: structure in first source	2.89	3	0	ureas
pazopanib pazopanib: a protein kinase inhibitor. pazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer.	4.04	2	0	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
azd 6244 AZD 6244: a MEK inhibitor	2.89	3	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea 1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea: structure in first source	2.89	3	0
cl 075 [no description available]	3.41	1	0
bay 61-3606 [no description available]	2.89	3	0	pyrimidines
sd-208 [no description available]	2.89	3	0
vx 702 VX 702: a p38 MAP kinase inhibitor	2.17	1	0	phenylpyridine
crenolanib [no description available]	2.89	3	0	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
cj 033466 CJ 033466: structure in first source	2.89	3	0
cc 401 CC 401: an anthrapyrazolone	2.89	3	0	pyrazoles; ring assembly
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.	4.7	5	0	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist
arterolane arterolane: a trioxolane with antimalarial activity; structure in first source. arterolane : An oxaspiro compound that is dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.1(3,7)]decane] substituted by a 2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl group at position 4s. Its maleic acid salt is used as an antimalarial drug in combination with piperaquine.	2.89	3	0
cariprazine cariprazine: Structure in first source. cariprazine : An N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochloride salt) for treatment of schizophrenia and bipolar disorder.	2.89	3	0
krp-203 [no description available]	2.89	3	0
regorafenib [no description available]	2.89	3	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor
at 7867 [no description available]	2.89	3	0	monochlorobenzenes; piperidines; pyrazoles	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester [no description available]	2.89	3	0	pyrroloquinoline
ptc 124 [no description available]	2.89	3	0	oxadiazole; ring assembly
degrasyn degrasyn: a JAK2 kinase inhibitor that induces rapid degradation of c-Myc protein in MM-1 multiple myeloma and other tumor cell lines; structure in first source	2.63	2	0
bi 2536 [no description available]	5.06	6	0
azd 1152 AZD-1152 : A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether.	2.89	3	0	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug
anacetrapib [no description available]	3.16	1	0
carfilzomib [no description available]	2.89	3	0	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor
idelalisib idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source. idelalisib : A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia.	2.89	3	0	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
motesanib [no description available]	2.89	3	0	pyridinecarboxamide
pf-562,271 [no description available]	2.89	3	0	indoles
gliocladin c gliocladin C: structure in first source	2.89	3	0
sb 706504 [no description available]	2.89	3	0
at 13387 (2,4-dihydroxy-5-isopropylphenyl)-(5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl)methanone: structure in first source. 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.	4.04	2	0	benzamides; isoindoles; N-alkylpiperazine; resorcinols; tertiary carboxamide	antineoplastic agent; Hsp90 inhibitor
ku-0060648 [no description available]	2.89	3	0	dibenzothiophenes
bgt226 BGT226 free base : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor.. BGT226 : The maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor.	2.89	3	0	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
n-desmethyldanofloxacin N-desmethyldanofloxacin: structure given in first source	2.89	3	0
rabeprazole sodium [no description available]	2.15	1	0	organic sodium salt
azd 1152-hqpa AZD2811: has antineoplastic activity; structure in first source	2.63	2	0	anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor
CDN1163 CDN1163: a SERCA2 activator with antidiabetic activity; structure in first source. CDN1163 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-isopropoxybenzoic acid with the primary amino group of 2-methylquinolin-8-amine. An allosteric activator of sarco/endoplasmic reticulum Ca(2+)-ATPase (SERCA).	2.89	3	0	aromatic ether; quinolines; secondary carboxamide	SERCA activator
gsk 269962a [no description available]	2.89	3	0
pha 848125 N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor	2.89	3	0
tg101209 [no description available]	3.25	1	0	N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
nvp-bhg712 [no description available]	2.89	3	0	benzamides
pf 04217903 [no description available]	2.89	3	0	quinolines
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one [no description available]	2.89	3	0	aromatic ketone
ph 797804 PH 797804: an NSAID; structure in first source. PH 797804 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine.	2.89	3	0	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
olaparib [no description available]	3.51	1	0	cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
srt1720 [no description available]	2.89	3	0
cx 4945 [no description available]	4.04	2	0
purfalcamine purfalcamine: a PfCDPK-1 inhibitor; structure in first source	2.89	3	0
bms 754807 BMS 754807: an IGR-1R kinase inhibitor; structure in first source	2.89	3	0	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ponatinib [no description available]	4.7	5	0	(trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine	antineoplastic agent; tyrosine kinase inhibitor
quizartinib [no description available]	2.89	3	0	benzoimidazothiazole; isoxazoles; morpholines; phenylureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor
PP121 [no description available]	2.89	3	0	aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor
az 505 AZ 505: an SMYD2 inhibitor; structure in first source	3.41	1	0
navitoclax [no description available]	2.89	3	0	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
gsk 650394 [no description available]	2.89	3	0	phenylpyridine
cardiovascular agents Cardiovascular Agents: Agents that affect the rate or intensity of cardiac contraction, blood vessel diameter, or blood volume.	5.96	3	1
dcc-2036 rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agent	2.89	3	0	organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines	tyrosine kinase inhibitor
cabozantinib cabozantinib: a multikinase inhibitor. cabozantinib : A dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer.	2.89	3	0	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	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
bix 01294 [no description available]	3.41	1	0	piperidines
TAK-580 MLN 2480: brain-penetrant RAF dimer antagonist. TAK-580 : A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults.	2.89	3	0	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one [no description available]	2.89	3	0	chromones
pf 3758309 PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first source	2.89	3	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol (5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first source	2.63	2	0	benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; apoptosis inducer; mTOR inhibitor
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available]	2.89	3	0	aryl sulfide; thienopyrimidine
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available]	2.89	3	0	aryl sulfide; thienopyrimidine
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available]	2.89	3	0	aryl sulfide; thienopyrimidine
baricitinib [no description available]	2.89	3	0	azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide	anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine [no description available]	2.89	3	0	quinazolines
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone ML-265: a small molecule activator of PKM2	2.89	3	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
e-52862 [no description available]	4.04	2	0
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide [no description available]	2.89	3	0	hydroxyquinoline
p505-15 [no description available]	2.89	3	0
mrt67307 MRT67307: IKK (IκB(inhibitor of NF-κB (nuclear factor κB)) kinase) family inhibitor; structure in first source	2.89	3	0	aromatic amine
au-1 [no description available]	2.13	1	0
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide [no description available]	2.89	3	0	piperazines
ribociclib ribociclib: inhibits both CDK4 and CDK6	2.89	3	0
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone [no description available]	2.89	3	0	aromatic ketone; thienopyrimidine
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
pha 793887 [no description available]	2.89	3	0	piperidinecarboxamide
gsk 2334470 GSK 2334470: a PDK1 inhibitor; structure in first source	2.21	1	0	indazoles
unc 0638 UNC 0638: inhibits lysine methyltransferases G9a and GLP; structure in first source	3.41	1	0	quinazolines
ml228 probe ML228 probe: structure in first source. ML228 : A member of the class of 1,2,4-triazines in which the triazine ring is substituted at positions 3, 5, and 6 by pyridin-2-yl, ([biphenyl]-4-ylmethyl)amin, and methyl groups, respectively. It is an activator of the hypoxia inducible factor (HIF) pathway.	2.89	3	0	1,2,4-triazines; biphenyls; pyridines; secondary amino compound	hypoxia-inducible factor pathway activator
pf-03882845 [no description available]	2.89	3	0
jq1 compound [no description available]	7.67	23	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
pf-04620110 PF-04620110: a DGAT1 inhibitor; structure in first source	2.89	3	0
gsk525762a molibresib: mimicks acetylated histones; structure in first source	3.85	10	0	benzodiazepine
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
birinapant birinapant: a Smac mimetic with antineoplastic activity	2.21	1	0	dipeptide
torin 1 torin 1 : A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.	2.89	3	0	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor
abt-199 venetoclax: A BCL-2 inhibitor with antineoplastic activity that is used in the treatment of CHRONIC LYMPHOCYTIC LEUKEMIA associated with chromosome 17p deletion; structure in first source.. venetoclax : A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion.	2.89	3	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea [no description available]	2.89	3	0	ureas
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide [no description available]	2.89	3	0	(trifluoromethyl)benzenes
LSM-6732 [no description available]	2.15	1	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound; tert-butyl ester
ncgc00242364 NCGC00242364: structure in first source	2.89	3	0	quinazolines
gsk1210151a GSK1210151A: inhibitor of the BET family of proteins; structure in first source	3.41	6	0	imidazoquinoline
i-bet726 [no description available]	2.86	3	0
hs-173 [no description available]	2.89	3	0
sr1664 [no description available]	2.89	3	0	indolecarboxamide
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide 4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide: inhibits phosphopantetheinyl transferase; structure in first source	2.89	3	0
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide [no description available]	2.59	2	0	benzamides; N-acylpiperidine
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide [no description available]	2.59	2	0	aminoquinoline
cudc-907 [no description available]	2.89	3	0
methacycline Methacycline: A broad-spectrum semisynthetic antibiotic related to TETRACYCLINE but excreted more slowly and maintaining effective blood levels for a more extended period.. methacycline : A tetracycline that is the 6-methylene analogue of oxytetracycline, obtained by formal dehydration at position 6.	2.21	1	0
methacycline monohydrochloride [no description available]	2.59	2	0
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid [no description available]	2.89	3	0	quinolines
agi-5198 AGI-5198: inhibits isocitrate dehydrogenase 1; structure in first source	2.89	3	0
d-4f peptide D-4F peptide: an apo A-I mimetic peptide synthesized from D-amino acids; may play a role in reducing inflammatory responses to influenza virus in mice; may also have anti-atherosclerotic properties	3.16	1	0
cep-32496 agerafenib: inhibitor of RAF family kinases; structure in first source	2.89	3	0
epz004777 [no description available]	2.89	3	0	N-glycosyl compound
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid [no description available]	2.89	3	0	organonitrogen heterocyclic compound
entecavir [no description available]	2.89	3	0	benzamides; N-acylpiperidine
pelabresib CPI-0610: a bromodomain and extra-terminal protein inhibitor with antineoplastic activity; structure in first source	4.57	4	0	monochlorobenzenes; organic heterotricyclic compound; primary carboxamide	antineoplastic agent; bromodomain-containing protein 4 inhibitor
gkt137831 setanaxib: NOX4/NOX1 inhibitor; a pyrazolopyridine dione derivative	2.89	3	0
vx-509 [no description available]	2.89	3	0
vx-970 berzosertib: an ATR kinase inhibitor	2.89	3	0	sulfonamide
gs-9973 [no description available]	2.89	3	0
amg 925 AMG-925 : An organic heterotricyclic compound that is 9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidine which is substituted by a [6-(hydroxyacetyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]nitrilo group at position 2 and by a trans-4-methylcyclohexyl group at position 9. It is a FLT3 and CDK4 dual kinase inhibitor that has antineoplastic activity. Currently under clinical investigation in patients with relapsed or refractory acute myeloid leukemia (AML).	2.89	3	0
epz-6438 tazemetostat: a histone methyltransferase EZH2 inhibitor with antineoplastic activity	3.41	1	0
sf 1126 SF 1126: an LY294002 prodrug and pan PI3K inhibitor; structure in first source	2.21	1	0
gne-618 GNE-618: inhibits nicotinamide phosphoribosyl transferase; structure in first source	2.89	3	0
g007-lk G007-LK: potent and specific small-molecule tankyrase inhibitor; structure in first source	2.89	3	0
volitinib [no description available]	2.89	3	0
ML355 ML355: 12-Lipoxygenase inhibitor. ML355 : A sulfonamide resulting from the formal condensation of the amino group of 2-aminobenzothiazole with the sulfo group of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonic acid. It is an inhibitor of 12-lipoxygenase, being developed by Veralox Therapeutics for the treatment of heparin-induced thrombocytopenia and thrombosis.	2.89	3	0	benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide	EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor
acp-196 acalabrutinib: inhibits Bruton’s tyrosine kinase; has antineoplastic activity. acalabrutinib : A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy.	2.89	3	0	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
gsk343 GSK343: an EZH2 methyltransferase inhibitor. GSK343 : A member of the class of indazoles that is 1-isopropyl-1H-indazole-4-carboxamide in which the nitrogen of the carboxamide group is substituted by a (6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl group and in which the indazole ring is substituted at position 6 by a 2-(4-methylpiperazin-1-yl)pyridin-4-yl group. A highly potent and selective EZH2 inhibitor (IC50 = 4 nM).	4.23	4	0	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
2-methoxy-n-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide: a probe for bromo and extra C-terminal domain proteins; structure in first source	3.99	3	0	quinazolines
agi-6780 AGI-6780: inhibits isocitrate dehydrogenases 1 and 2; structure in first source	2.89	3	0
khs101 KHS101: a small molecule accelerates neuronal differentiation in the adult rat	2.89	3	0
cb-839 [no description available]	2.89	3	0
gsk-j4 GSK-J4: a JMJD3 inhibitor; structure in first source	2.89	3	0	organonitrogen heterocyclic compound
pf-06424439 PF-06424439: an inhibitor of diacylglycerol acyltransferase 2; structure in first source	2.89	3	0
etp-46464 ETP-46464: inhibits ATM and Rad3-related kinase; structure in first source	2.89	3	0
onc201 TIC10 compound: a TRAIL-dependent antitumor agent; structure in first source	2.89	3	0
kai407 KAI407: an antimalarial; structure in first source	2.89	3	0
pf-06687252 PF-06687252: a SMARCA2/4 bromodomain inhibitor; structure in first source. PFI-3 : An azabicycloalkane that is (1R,4R)-2,5-diazabicyclo[2.2.1]heptane which is substituted at position 2 by a 3-(2-hydroxyphenyl)-3-oxoprop-1-en-1-yl group and at position 5 by a pyridin-2-yl group. It is a potent and selective inhibitor of polybromo 1 (Kd = 48 nM), SMARCA2 and SMARCA4 (Kd = 89 nM) bromodomains.	2.13	1	0	azabicycloalkane; enone; phenols; pyridines
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine 6,7-dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine: a SETD8 inhibitor; structure in first source	2.89	3	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
enasidenib [no description available]	2.89	3	0	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
oicr-9429 OICR-9429: antineoplastic; structure in first source	2.89	3	0
lly-507 LLY-507: inhibits methyltransferase SMYD2; structure in first source. LLY-507 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}[biphenyl]-3-carboxylic acid with the amino group of 3-(pyrrolidin-1-yl)propan-1-amine. It is a potent and selective inhibitor of SMYD2 and inhibits the ability of SMYD2 to methylate p53. It serves as a valuable chemical probe to aid in the dissection of SMYD2 function in cancer and other biological processes.	2.89	3	0
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
at 9283 [no description available]	2.89	3	0
hypoxanthine [no description available]	2.89	3	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
clozapine Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.. clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia.	2.89	3	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
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
1-hydroxyphenazine 1-hydroxyphenazine: a virulence factor of Pseudomonas aeruginosa. 1-hydroxyphenazine : A phenazine carrying a hydroxy substituent at the 1-position.	2.89	3	0	phenazines
ro 24-7429 Ro 24-7429: blocks the action of the HIV tat protein; an analog of Ro 5-3335; Proc Natl Acad Sci U S A 1993 Jul 15;90(14):6395-9	2.89	3	0	benzodiazepine
nintedanib nintedanib : A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer.	2.89	3	0
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide [no description available]	2.89	3	0	catechols; hydrazide; hydrazone; naphthols	EC 3.6.5.5 (dynamin GTPase) 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.	4.7	5	0	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor
bmn 673 talazoparib: inhibits both PARP1 and PARP2; structure in first source	2.89	3	0

Condition	Indicated	Relationship Strength	Studies	Trials
Atherogenesis [description not available]	0	6.82	9	1
Atherosclerosis A thickening and loss of elasticity of the walls of ARTERIES that occurs with formation of ATHEROSCLEROTIC PLAQUES within the ARTERIAL INTIMA.	0	6.82	9	1
Leucocythaemia [description not available]	0	3.06	4	0
Leukemia A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006)	0	3.06	4	0
Breast Cancer [description not available]	0	2.57	2	0
Breast Neoplasms Tumors or cancer of the human BREAST.	0	2.57	2	0
Innate Inflammatory Response [description not available]	0	4.27	13	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	4.27	13	0
ER-Negative PR-Negative HER2-Negative Breast Cancer [description not available]	0	2.21	1	0
Kahler Disease [description not available]	0	2.21	1	0
Multiple Myeloma A malignancy of mature PLASMA CELLS engaging in monoclonal immunoglobulin production. It is characterized by hyperglobulinemia, excess Bence-Jones proteins (free monoclonal IMMUNOGLOBULIN LIGHT CHAINS) in the urine, skeletal destruction, bone pain, and fractures. Other features include ANEMIA; HYPERCALCEMIA; and RENAL INSUFFICIENCY.	0	2.21	1	0
Triple Negative Breast Neoplasms Breast neoplasms that do not express ESTROGEN RECEPTORS; PROGESTERONE RECEPTORS; and do not overexpress the NEU RECEPTOR/HER-2 PROTO-ONCOGENE PROTEIN.	0	2.21	1	0
Adjuvant Arthritis [description not available]	0	2.21	1	0
Gouty Arthritis [description not available]	0	2.21	1	0
Acute Disease Disease having a short and relatively severe course.	0	2.21	1	0
Arthritis, Gouty Arthritis, especially of the great toe, as a result of gout. Acute gouty arthritis often is precipitated by trauma, infection, surgery, etc. The initial attacks are usually monoarticular but later attacks are often polyarticular. Acute and chronic gouty arthritis are associated with accumulation of MONOSODIUM URATE in and around affected joints.	0	2.21	1	0
Colorectal Cancer [description not available]	0	2.61	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	2.61	2	0
Infections, Coronavirus [description not available]	0	5.11	4	0
2019 Novel Coronavirus Disease [description not available]	0	5.49	6	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
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	0	4.46	4	1
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
HIV Coinfection [description not available]	0	3.53	2	0
HIV Infections Includes the spectrum of human immunodeficiency virus infections that range from asymptomatic seropositivity, thru AIDS-related complex (ARC), to acquired immunodeficiency syndrome (AIDS).	0	3.53	2	0
Benign Neoplasms [description not available]	0	3.33	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.	0	3.33	1	0
Blood Poisoning [description not available]	0	2.41	1	0
Sepsis Systemic inflammatory response syndrome with a proven or suspected infectious etiology. When sepsis is associated with organ dysfunction distant from the site of infection, it is called severe sepsis. When sepsis is accompanied by HYPOTENSION despite adequate fluid infusion, it is called SEPTIC SHOCK.	0	2.41	1	0
Cognitive Decline [description not available]	0	3.7	1	1
Cardiovascular Diseases Pathological conditions involving the CARDIOVASCULAR SYSTEM including the HEART; the BLOOD VESSELS; or the PERICARDIUM.	0	12.01	27	4
Cognitive Dysfunction Diminished or impaired mental and/or intellectual function.	0	3.7	1	1
alpha-Galactosidase A Deficiency [description not available]	0	2.41	1	0
Fabry Disease An X-linked inherited metabolic disease caused by a deficiency of lysosomal ALPHA-GALACTOSIDASE A. It is characterized by intralysosomal accumulation of globotriaosylceramide and other GLYCOSPHINGOLIPIDS in blood vessels throughout the body leading to multi-system complications including renal, cardiac, cerebrovascular, and skin disorders.	1	4.41	1	0
Diabetes Mellitus, Adult-Onset [description not available]	0	8.68	12	5
Diabetes Mellitus, Type 2 A subclass of DIABETES MELLITUS that is not INSULIN-responsive or dependent (NIDDM). It is characterized initially by INSULIN RESISTANCE and HYPERINSULINEMIA; and eventually by GLUCOSE INTOLERANCE; HYPERGLYCEMIA; and overt diabetes. Type II diabetes mellitus is no longer considered a disease exclusively found in adults. Patients seldom develop KETOSIS but often exhibit OBESITY.	0	8.68	12	5
Obesity A status with BODY WEIGHT that is grossly above the recommended standards, usually due to accumulation of excess FATS in the body. The standards may vary with age, sex, genetic or cultural background. In the BODY MASS INDEX, a BMI greater than 30.0 kg/m2 is considered obese, and a BMI greater than 40.0 kg/m2 is considered morbidly obese (MORBID OBESITY).	0	3.52	4	0
Cytokine Release Syndrome A severe immune reaction characterized by excessive release of CYTOKINES. Symptoms include DYSPNEA; FEVER; HEADACHE; HYPOTENSION; NAUSEA; RASH; TACHYCARDIA; HYPOXIA; HYPERFERRITINEMIA, and MULTIPLE ORGAN FAILURE. It is associated with viral infections, SEPSIS; AUTOIMMUNE DISEASES and a variety of factors used in IMMUNOTHERAPY.	0	2.6	1	0
Pericementitis [description not available]	0	2.6	1	0
Alveolar Bone Atrophy [description not available]	0	2.6	1	0
Periodontitis Inflammation and loss of connective tissues supporting or surrounding the teeth. This may involve any part of the PERIODONTIUM. Periodontitis is currently classified by disease progression (CHRONIC PERIODONTITIS; AGGRESSIVE PERIODONTITIS) instead of age of onset. (From 1999 International Workshop for a Classification of Periodontal Diseases and Conditions, American Academy of Periodontology)	0	2.6	1	0
Apoplexy [description not available]	0	5.97	2	2
Chronic Kidney Diseases [description not available]	0	7.75	4	3
Diabetic Angiopathies VASCULAR DISEASES that are associated with DIABETES MELLITUS.	0	4.51	1	1
Cardiovascular Stroke [description not available]	0	5.97	2	2
Myocardial Infarction NECROSIS of the MYOCARDIUM caused by an obstruction of the blood supply to the heart (CORONARY CIRCULATION).	0	5.97	2	2
Stroke A group of pathological conditions characterized by sudden, non-convulsive loss of neurological function due to BRAIN ISCHEMIA or INTRACRANIAL HEMORRHAGES. Stroke is classified by the type of tissue NECROSIS, such as the anatomic location, vasculature involved, etiology, age of the affected individual, and hemorrhagic vs. non-hemorrhagic nature. (From Adams et al., Principles of Neurology, 6th ed, pp777-810)	0	5.97	2	2
Renal Insufficiency, Chronic Conditions in which the KIDNEYS perform below the normal level for more than three months. Chronic kidney insufficiency is classified by five stages according to the decline in GLOMERULAR FILTRATION RATE and the degree of kidney damage (as measured by the level of PROTEINURIA). The most severe form is the end-stage renal disease (CHRONIC KIDNEY FAILURE). (Kidney Foundation: Kidney Disease Outcome Quality Initiative, 2002)	1	9.75	4	3
Acute Coronary Syndrome An episode of MYOCARDIAL ISCHEMIA that generally lasts longer than a transient anginal episode that ultimately may lead to MYOCARDIAL INFARCTION.	0	8.99	7	5
Heritable Pulmonary Arterial Hypertension [description not available]	0	2.25	1	0
Pulmonary Arterial Hypertension A progressive rare pulmonary disease characterized by high blood pressure in the PULMONARY ARTERY.	0	2.93	3	0
Familial Primary Pulmonary Hypertension Familial or idiopathic hypertension in the PULMONARY CIRCULATION which is not secondary to other disease.	0	2.25	1	0
Diabetic Glomerulosclerosis [description not available]	0	3.17	1	0
Diabetic Nephropathies KIDNEY injuries associated with diabetes mellitus and affecting KIDNEY GLOMERULUS; ARTERIOLES; KIDNEY TUBULES; and the interstitium. Clinical signs include persistent PROTEINURIA, from microalbuminuria progressing to ALBUMINURIA of greater than 300 mg/24 h, leading to reduced GLOMERULAR FILTRATION RATE and END-STAGE RENAL DISEASE.	0	3.17	1	0
Endotoxemia A condition characterized by the presence of ENDOTOXINS in the blood. On lysis, the outer cell wall of gram-negative bacteria enters the systemic circulation and initiates a pathophysiologic cascade of pro-inflammatory mediators.	0	2.25	1	0
Cardiac Failure [description not available]	0	5.87	3	2
Heart Failure A heterogeneous condition in which the heart is unable to pump out sufficient blood to meet the metabolic need of the body. Heart failure can be caused by structural defects, functional abnormalities (VENTRICULAR DYSFUNCTION), or a sudden overload beyond its capacity. Chronic heart failure is more common than acute heart failure which results from sudden insult to cardiac function, such as MYOCARDIAL INFARCTION.	0	5.87	3	2
Cardiac Diseases [description not available]	0	2.31	1	0
Heart Diseases Pathological conditions involving the HEART including its structural and functional abnormalities.	0	2.31	1	0
Complications of Diabetes Mellitus [description not available]	0	3.7	1	1
Recrudescence [description not available]	0	4.62	1	1
Invasiveness, Neoplasm [description not available]	0	2.17	1	0
Atheroma [description not available]	0	9.51	7	6
Arteriosclerosis, Coronary [description not available]	0	9.1	9	7
Coronary Artery Disease Pathological processes of CORONARY ARTERIES that may derive from a congenital abnormality, atherosclerotic, or non-atherosclerotic cause.	0	9.1	9	7
Vascular Calcification Deposition of calcium into the blood vessel structures. Excessive calcification of the vessels are associated with ATHEROSCLEROTIC PLAQUES formation particularly after MYOCARDIAL INFARCTION (see MONCKEBERG MEDIAL CALCIFIC SCLEROSIS) and chronic kidney diseases which in turn increase VASCULAR STIFFNESS.	0	5.07	4	0
Pulmonary Arterial Remodeling [description not available]	0	2.21	1	0
Angiitis [description not available]	0	2.21	1	0
Vasculitis Inflammation of any one of the blood vessels, including the ARTERIES; VEINS; and rest of the vasculature system in the body.	0	2.21	1	0
Hyperlipemia [description not available]	0	2.1	1	0
Aortic Diseases Pathological processes involving any part of the AORTA.	0	2.1	1	0
Hyperlipidemias Conditions with excess LIPIDS in the blood.	0	2.1	1	0
Dyslipidemia [description not available]	0	3.88	2	0
Dyslipidemias Abnormalities in the serum levels of LIPIDS, including overproduction or deficiency. Abnormal serum lipid profiles may include high total CHOLESTEROL, high TRIGLYCERIDES, low HIGH DENSITY LIPOPROTEIN CHOLESTEROL, and elevated LOW DENSITY LIPOPROTEIN CHOLESTEROL.	0	3.88	2	0
Diseases, Metabolic [description not available]	0	3.03	1	0
Metabolic Diseases Generic term for diseases caused by an abnormal metabolic process. It can be congenital due to inherited enzyme abnormality (METABOLISM, INBORN ERRORS) or acquired due to disease of an endocrine organ or failure of a metabolically important organ such as the liver. (Stedman, 26th ed)	0	3.03	1	0
Disease Exacerbation [description not available]	0	7.55	4	4
Prediabetes [description not available]	0	3.51	1	1
Prediabetic State The time period before the development of symptomatic diabetes. For example, certain risk factors can be observed in subjects who subsequently develop INSULIN RESISTANCE as in type 2 diabetes (DIABETES MELLITUS, TYPE 2).	0	3.51	1	1
Acute Confusional Senile Dementia [description not available]	0	2.98	1	0
Alzheimer Disease A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57)	0	2.98	1	0

rvx 208

Description

Cross-References

Synonyms (63)

Research Excerpts

Overview

Effects

Bioavailability

Dosage Studied

Protein Targets (11)

Potency Measurements

Inhibition Measurements

Activation Measurements

Biological Processes (89)

Molecular Functions (49)

Ceullar Components (28)

Bioassays (255)

Research

Studies (92)

Study Types

rvx 208

Description

Cross-References

Synonyms (63)

Research Excerpts

Overview

Effects

Bioavailability

Dosage Studied

Protein Targets (11)

Potency Measurements

Inhibition Measurements

Activation Measurements

Biological Processes (89)

Molecular Functions (49)

Ceullar Components (28)

Bioassays (255)

Research

Studies (92)

Study Types

Related Drugs (459)

Related Conditions (83)