TTD | Drug: D0H6TE

Drug General Information
Drug ID	D0H6TE
Former ID	DNC011441
Drug Name	JMV 1802
Indication	Discovery agent		Investigative	[525815]
Structure		Download 2D MOL 3D MOL
Formula	C52H73N11O10
Canonical SMILES	CCCCC(C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)CN2CCCCC(C2=O)N<br />C(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)N)NC<br />(=O)CCC5=CC=C(C=C5)O)O
InChI	1S/C52H73N11O10/c1-5-6-14-44(65)41(24-31(2)3)61-51(72)43(26-35-28-54-30-56-35)59-47(68)29-63-23-10-9-13-40(52(63)73)60-48(69)32(4)57-50(71)42(25-34-27-55-38-12-8-7-11-37(34)38)62-49(70)39(20-21-45(53)66)58-46(67)22-17-33-15-18-36(64)19-16-33/h7-8,11-12,15-16,18-19,27-28,30-32,39-44,55,64-65H,5-6,9-10,13-14,17,20-26,29H2,1-4H3,(H2,53,66)(H,54,56)(H,57,71)(H,58,67)(H,59,68)(H,60,69)(H,61,72)(H,62,70)/t32?,39?,40?,41-,42?,43?,44?/m1/s1
InChIKey	SXWFVLCWIVAJQD-FUEGDDJLSA-N
PubChem Compound ID	44315691
Target and Pathway
Target(s)	Gastrin-releasing peptide receptor	Target Info	Inhibitor	[525815]
KEGG Pathway	Calcium signaling pathway
KEGG Pathway	Neuroactive ligand-receptor interaction
Reactome	Peptide ligand-binding receptors
Reactome	G alpha (q) signalling events
WikiPathways	GPCRs, Class A Rhodopsin-like
	Peptide GPCRs
	GPCRs, Other
References
Ref 525815	J Med Chem. 2000 Jun 15;43(12):2356-61.Synthesis and biological evaluation of bombesin constrained analogues.
Ref 525815	J Med Chem. 2000 Jun 15;43(12):2356-61.Synthesis and biological evaluation of bombesin constrained analogues.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.

Drug Information