Drug Information

Drug General Information
Drug ID
D0HN2U
Former ID
DNC011487
Drug Name
JMV 1535
Indication Discovery agent Investigative [525815]
Structure
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2D MOL

3D MOL
Formula
C54H76N14O10
Canonical SMILES
CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)<br />CN2CCCCC(C2=O)NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=<br />O)C(CCC(=O)N)NC(=O)C(CC5=CC=CC=C5)N
InChI
1S/C54H76N14O10/c1-30(2)21-41(47(57)71)65-52(76)42(22-31(3)4)66-53(77)44(25-35-27-58-29-60-35)62-46(70)28-68-20-12-11-17-40(54(68)78)64-48(72)32(5)61-51(75)43(24-34-26-59-38-16-10-9-15-36(34)38)67-50(74)39(18-19-45(56)69)63-49(73)37(55)23-33-13-7-6-8-14-33/h6-10,13-16,26-27,29-32,37,39-44,59H,11-12,17-25,28,55H2,1-5H3,(H2,56,69)(H2,57,71)(H,58,60)(H,61,75)(H,62,70)(H,63,73)(H,64,72)(H,65,76)(H,66,77)(H,67,74)/t32?,37-,39?,40?,41?,42?,43?,44?/m1/s1
InChIKey
FTAPYHDWDYGKIH-CJGWHWQJSA-N
PubChem Compound ID
44315745
Target and Pathway
Target(s) Gastrin-releasing peptide receptor Target Info Inhibitor [525815]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCRs, Other
References
Ref 525815J Med Chem. 2000 Jun 15;43(12):2356-61.Synthesis and biological evaluation of bombesin constrained analogues.
Ref 525815J Med Chem. 2000 Jun 15;43(12):2356-61.Synthesis and biological evaluation of bombesin constrained analogues.

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