Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D08RVN
|
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| Former ID |
DNC004399
|
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| Drug Name |
NSC-19028
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [526416] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C15H10O2
|
||||
| Canonical SMILES |
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2
|
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| 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
|
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| InChIKey |
VHBFFQKBGNRLFZ-UHFFFAOYSA-N
|
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| 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] | ||
| 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 526416 | J 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 530256 | Bioorg 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 530867 | Bioorg 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 534098 | J Med Chem. 1996 Feb 2;39(3):781-8.Interactions of flavonoids and other phytochemicals with adenosine receptors. | ||||
| Ref 551323 | Synthesis 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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