Drug Information

Drug General Information
Drug ID
D0D3ZP
Former ID
DNC004857
Drug Name
NBI-42902
Drug Type
Small molecular drug
Indication Prostate cancer [ICD9: 185; ICD10:C61] Discontinued in Phase 1 [538691], [547161]
Structure
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2D MOL

3D MOL
Formula
C27H24F3N3O3
InChI
InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1
InChIKey
CJUWBZDJMYYRDG-QFIPXVFZSA-N
PubChem Compound ID
11167850
PubChem Substance ID
16247393, 23360496, 42222600, 75179394, 103441832, 104048236, 134342062, 135650694, 135651186, 140241162, 163764059, 172650008, 198981309, 231550040, 246592763
Target and Pathway
Target(s) Gonadotropin-releasing hormone receptor Target Info Inhibitor [536933]
KEGG Pathway Neuroactive ligand-receptor interaction
GnRH signaling pathway
NetPath Pathway IL1 Signaling Pathway
IL2 Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Reactome Hormone ligand-binding receptors
G alpha (q) signalling events
WikiPathways Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
GPCRs, Other
References
Ref 538691(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1178).
Ref 547161Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800013539)
Ref 536933Discovery of sodium R-(+)-4-{2-[5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyrate (elagolix), a potent and orally available nonpeptide antagonist of the human gonadotropin-releasing hormone receptor. J Med Chem. 2008 Dec 11;51(23):7478-85.

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