TTD | Drug: D0RR7X

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	6324620
PubChem Substance ID	7979453, 17187319, 42973597, 57365641, 80936208, 114482000, 178100718
Target and Pathway
Target(s)	NK-2 receptor	Target Info	Antagonist	[533855]
KEGG Pathway	Calcium signaling pathway
KEGG 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 533855	Synthesis 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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Drug Information