TTD | Drug: D0N9MH

Drug General Information
Drug ID	D0N9MH
Former ID	DNC011484
Drug Name	JMV 1799
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[525815]
Structure		Download 2D MOL 3D MOL
Formula	C49H65N11O11
Canonical SMILES	CC(C)CC(C(=O)OC)NC(=O)C(CC1=CN=CN1)NC(=O)CN2CCCCC(C2=O)<br />NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)N)N<br />C(=O)CCC5=CC=C(C=C5)O
InChI	1S/C49H65N11O11/c1-28(2)21-40(49(70)71-4)59-47(68)39(23-32-25-51-27-53-32)56-43(64)26-60-20-8-7-11-37(48(60)69)57-44(65)29(3)54-46(67)38(22-31-24-52-35-10-6-5-9-34(31)35)58-45(66)36(17-18-41(50)62)55-42(63)19-14-30-12-15-33(61)16-13-30/h5-6,9-10,12-13,15-16,24-25,27-29,36-40,52,61H,7-8,11,14,17-23,26H2,1-4H3,(H2,50,62)(H,51,53)(H,54,67)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,68)
InChIKey	SVPHNBMMYLAPKY-UHFFFAOYSA-N
PubChem Compound ID	44315612
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.

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Drug Information