TTD | Drug: D07CVE

Drug General Information
Drug ID	D07CVE
Former ID	DIB020793
Drug Name	R396
Synonyms	R 396; R-396
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[539342]
Structure		Download 2D MOL
Formula	C39H51N9O10
InChI	InChI=1S/C39H51N9O10/c1-21(2)15-28(44-22(3)49)37(56)48-31(18-34(52)53)39(58)45-27(13-14-32(40)50)36(55)47-30(17-24-19-42-26-12-8-7-11-25(24)26)38(57)46-29(35(54)43-20-33(41)51)16-23-9-5-4-6-10-23/h4-12,19,21,27-31,42H,13-18,20H2,1-3H3,(H2,40,50)(H2,41,51)(H,43,54)(H,44,49)(H,45,58)(H,46,57)(H,47,55)(H,48,56)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
InChIKey	VTQMNICJVWMKEV-QKUYTOGTSA-N
PubChem Compound ID	164286
PubChem Substance ID	10255422, 46238523, 57350370, 80063088, 103817261, 113453662, 117569629, 135119970, 135652428
Target and Pathway
Target(s)	NK-2 receptor	Target Info	Antagonist	[533690]
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 539342	(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: 2118).
Ref 533690	Characterization of the binding sites of [3H]SR 48968, a potent nonpeptide radioligand antagonist of the neurokinin-2 receptor. Biochem Biophys Res Commun. 1993 Mar 31;191(3):1172-7.

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Drug Information