Drug Information

Drug General Information
Drug ID
D0N1XQ
Former ID
DNC011459
Drug Name
JMV 1719
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525815]
Structure
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2D MOL

3D MOL
Formula
C48H64N12O11
Canonical SMILES
CC(C)CC(C(=O)NO)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/C48H64N12O11/c1-27(2)20-37(47(69)59-71)57-46(68)39(22-31-24-50-26-52-31)55-42(64)25-60-19-7-6-10-36(48(60)70)56-43(65)28(3)53-45(67)38(21-30-23-51-34-9-5-4-8-33(30)34)58-44(66)35(16-17-40(49)62)54-41(63)18-13-29-11-14-32(61)15-12-29/h4-5,8-9,11-12,14-15,23-24,26-28,35-39,51,61,71H,6-7,10,13,16-22,25H2,1-3H3,(H2,49,62)(H,50,52)(H,53,67)(H,54,63)(H,55,64)(H,56,65)(H,57,68)(H,58,66)(H,59,69)/t28?,35?,36?,37-,38?,39?/m1/s1
InChIKey
SVDHLNPEHKDLER-PGRJMBAQSA-N
PubChem Compound ID
44315688
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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