Drug Information

Drug General Information
Drug ID
D0W2EP
Former ID
DNC011485
Drug Name
JMV 1801
Indication Discovery agent Investigative [525815]
Structure
Download
2D MOL

3D MOL
Formula
C52H74N12O9
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)C(CC5=CC=CC=C5)N)O
InChI
1S/C52H74N12O9/c1-5-6-19-44(65)41(23-31(2)3)62-51(72)43(26-35-28-55-30-57-35)59-46(67)29-64-22-13-12-18-40(52(64)73)61-47(68)32(4)58-50(71)42(25-34-27-56-38-17-11-10-16-36(34)38)63-49(70)39(20-21-45(54)66)60-48(69)37(53)24-33-14-8-7-9-15-33/h7-11,14-17,27-28,30-32,37,39-44,56,65H,5-6,12-13,18-26,29,53H2,1-4H3,(H2,54,66)(H,55,57)(H,58,71)(H,59,67)(H,60,69)(H,61,68)(H,62,72)(H,63,70)/t32?,37-,39?,40?,41-,42?,43?,44?/m1/s1
InChIKey
FJZSPPBJQIVSSX-SCVQECHTSA-N
PubChem Compound ID
44315611
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.

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