Drug General Information
Drug ID
D07OAR
Former ID
DNC012684
Drug Name
(CH3)CCO-His-Trp-Ala-Val-Gly-His-Leu-Met-NH2
Indication Discovery agent Investigative [531063]
Structure
Download
2D MOL

3D MOL

Formula
C49H72N14O9S
Canonical SMILES
CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CN<br />C(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O<br />)C(CC4=CN=CN4)NC(=O)C(C)(C)C
InChI
1S/C49H72N14O9S/c1-26(2)16-35(44(68)59-34(41(50)65)14-15-73-9)60-45(69)37(18-30-21-51-24-55-30)58-39(64)23-54-47(71)40(27(3)4)63-42(66)28(5)57-43(67)36(17-29-20-53-33-13-11-10-12-32(29)33)61-46(70)38(19-31-22-52-25-56-31)62-48(72)49(6,7)8/h10-13,20-22,24-28,34-38,40,53H,14-19,23H2,1-9H3,(H2,50,65)(H,51,55)(H,52,56)(H,54,71)(H,57,67)(H,58,64)(H,59,68)(H,60,69)(H,61,70)(H,62,72)(H,63,66)/t28-,34-,35-,36-,37-,38-,40-/m0/s1
InChIKey
PKBMJVZFJGPSPI-MEIFHOCSSA-N
PubChem Compound ID
Target and Pathway
Target(s) Gastrin-releasing peptide receptor Target Info Inhibitor [531063]
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 531063J Med Chem. 1991 Jul;34(7):2102-7.Gastrin releasing peptide antagonists with improved potency and stability.
Ref 531063J Med Chem. 1991 Jul;34(7):2102-7.Gastrin releasing peptide antagonists with improved potency and stability.

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