Drug Information

Drug General Information
Drug ID
D00TRO
Former ID
DIB018353
Drug Name
[3H]NBI-49202
Drug Type
Small molecular drug
Indication Discovery agent Investigative [538698]
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
11191153
PubChem Substance ID
16272198, 23379505, 42270840, 75179393, 103441907, 104048250, 231550043
Target and Pathway
Target(s) Gonadotropin-releasing hormone receptor Target Info Antagonist [528389]
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 538698(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: 1187).
Ref 528389Kinetics of nonpeptide antagonist binding to the human gonadotropin-releasing hormone receptor: Implications for structure-activity relationships and insurmountable antagonism. Biochem Pharmacol. 2006 Sep 28;72(7):838-49. Epub 2006 Aug 22.

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