Drug General Information
Drug ID
D08RVN
Former ID
DNC004399
Drug Name
NSC-19028
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526416]
Structure
Download
2D MOL
Formula
C15H10O2
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2
InChI
1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
InChIKey
VHBFFQKBGNRLFZ-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Adenosine A3 receptor Target Info Inhibitor [534098]
Gamma-aminobutyric acid receptor Target Info Inhibitor [526416]
Cytochrome P450 19 Target Info Inhibitor [530867]
Gamma-aminobutyric acid receptor subunit alpha-1 Target Info Inhibitor [551323]
mRNA of androgen receptor Target Info Inhibitor [530256]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesishsa04080:Neuroactive ligand-receptor interaction
Retrograde endocannabinoid signaling
GABAergic synapse
Morphine addiction
Nicotine addictionhsa04114:Oocyte meiosis
Pathways in cancer
Prostate cancer
NetPath Pathway FSH Signaling PathwayNetPath_4:EGFR1 Signaling Pathway
AndrogenReceptor Signaling Pathway
FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
Pathway Interaction Database Regulation of nuclear SMAD2/3 signaling
Coregulation of Androgen receptor activity
Regulation of Androgen receptor activity
Nongenotropic Androgen signaling
Regulation of nuclear beta catenin signaling and target gene transcription
FOXA1 transcription factor network
Notch-mediated HES/HEY network
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-211976:Endogenous sterolsR-HSA-975298:Ligand-gated ion channel transport
GABA A receptor activationR-HSA-383280:Nuclear Receptor transcription pathway
Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCRs, OtherWP702:Metapathway biotransformation
Tryptophan metabolism
Oxidation by Cytochrome P450
Ovarian Infertility Genes
Metabolism of steroid hormones and vitamin D
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compoundsWP706:SIDS Susceptibility Pathways
Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Iron uptake and transportWP706:SIDS Susceptibility Pathways
Integrated Pancreatic Cancer Pathway
Prostate Cancer
Nuclear Receptors
Androgen receptor signaling pathway
References
Ref 526416J Med Chem. 2002 Sep 12;45(19):4188-201.Refinement and evaluation of a pharmacophore model for flavone derivatives binding to the benzodiazepine site of the GABA(A) receptor.
Ref 526416J Med Chem. 2002 Sep 12;45(19):4188-201.Refinement and evaluation of a pharmacophore model for flavone derivatives binding to the benzodiazepine site of the GABA(A) receptor.
Ref 530256Bioorg Med Chem Lett. 2009 Aug 15;19(16):4706-10. Epub 2009 Jun 23.Effect of flavonoids on androgen and glucocorticoid receptors based on in vitro reporter gene assay.
Ref 530867Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. Epub 2010 Apr 8.Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).
Ref 534098J Med Chem. 1996 Feb 2;39(3):781-8.Interactions of flavonoids and other phytochemicals with adenosine receptors.
Ref 551323Synthesis of halogenated/nitrated flavone derivatives and evaluation of their affinity for the central benzodiazepine receptor, Bioorg. Med. Chem. Lett. 7(15):2003-2008 (1997).

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