Drug Information

Drug General Information
Drug ID
D0D2ET
Former ID
DNC011465
Drug Name
JMV 1813
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525815]
Structure
Download
2D MOL

3D MOL
Formula
C49H66N12O10
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)C(CC5=CC=CC=C5)N
InChI
1S/C49H66N12O10/c1-28(2)20-40(49(70)71-4)60-47(68)39(23-32-25-52-27-54-32)56-42(63)26-61-19-11-10-16-37(48(61)69)58-43(64)29(3)55-46(67)38(22-31-24-53-35-15-9-8-14-33(31)35)59-45(66)36(17-18-41(51)62)57-44(65)34(50)21-30-12-6-5-7-13-30/h5-9,12-15,24-25,27-29,34,36-40,53H,10-11,16-23,26,50H2,1-4H3,(H2,51,62)(H,52,54)(H,55,67)(H,56,63)(H,57,65)(H,58,64)(H,59,66)(H,60,68)/t29?,34-,36?,37?,38?,39?,40?/m1/s1
InChIKey
LRJRTIDXMDONHY-UEHPUAOMSA-N
PubChem Compound ID
44315476
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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