Drug General Information
Drug ID
D0RR7X
Former ID
DIB019934
Drug Name
GR94800
Synonyms
GR-94800; GR 94800
Drug Type
Small molecular drug
Indication Discovery agent Investigative [540530]
Structure
Download
2D MOL
Formula
C49H61N9O8
InChI
InChI=1S/C49H61N9O8/c1-5-29(2)41(42(50)59)56-47(64)39-22-14-24-57(39)49(66)40-23-15-25-58(40)48(65)38(26-32-16-8-6-9-17-32)55-46(63)37(27-34-28-51-36-21-13-12-20-35(34)36)54-44(61)31(4)52-43(60)30(3)53-45(62)33-18-10-7-11-19-33/h6-13,16-21,28-31,37-41,51H,5,14-15,22-27H2,1-4H3,(H2,50,59)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,64)/t29-,30-,31-,37+,38-,39-,40+,41-/m0/s1
InChIKey
KIPTYYXCLIQOHM-KKMBCTKYSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) NK-2 receptor Target Info Antagonist [533855]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Reactome G alpha (q) signalling events
WikiPathways Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 540530(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: 3882).
Ref 533855Synthesis and characterization of selective fluorescent ligands for the neurokinin NK2 receptor. J Med Chem. 1994 Jun 24;37(13):1991-5.

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