TTD | Drug: D08SGF

Drug General Information
Drug ID	D08SGF
Former ID	DIB019932
Drug Name	GR100679
Synonyms	GR 100679; GR-100679
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[540529]
Structure		Download 2D MOL
Formula	C34H44N6O5
InChI	InChI=1S/C34H44N6O5/c1-22(37-30(41)21-36-32(43)24-14-8-5-9-15-24)31(42)38-28(19-25-20-35-27-17-11-10-16-26(25)27)33(44)39-29(34(45)40(2)3)18-23-12-6-4-7-13-23/h4,6-7,10-13,16-17,20,22,24,28-29,35H,5,8-9,14-15,18-19,21H2,1-3H3,(H,36,43)(H,37,41)(H,38,42)(H,39,44)/t22-,28+,29-/m0/s1
InChIKey	IBHXDZADSPABSD-GJDOKZOISA-N
PubChem Compound ID	5311129
PubChem Substance ID	7979434, 11056289, 14863035, 39340847, 50457065, 57359367, 103431552, 114155340, 178100716
Target and Pathway
Target(s)	NK-2 receptor	Target Info	Antagonist	[533929]
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 540529	(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: 3880).
Ref 533929	Characterisation, CNS distribution and function of NK2 receptors studied using potent NK2 receptor antagonists. Regul Pept. 1993 Jul 2;46(1-2):9-19.

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Drug Information