Drug Information

Drug General Information
Drug ID
D07ZUI
Former ID
DNC012694
Drug Name
Ac-His-Trp-Ala-Val-Gly-His-Leu-Met-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531063]
Structure
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2D MOL

3D MOL
Formula
C46H66N14O9S
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
InChI
1S/C46H66N14O9S/c1-24(2)14-34(43(66)57-33(40(47)63)12-13-70-7)58-45(68)37(17-30-20-49-23-53-30)56-38(62)21-51-46(69)39(25(3)4)60-41(64)26(5)54-42(65)35(15-28-18-50-32-11-9-8-10-31(28)32)59-44(67)36(55-27(6)61)16-29-19-48-22-52-29/h8-11,18-20,22-26,33-37,39,50H,12-17,21H2,1-7H3,(H2,47,63)(H,48,52)(H,49,53)(H,51,69)(H,54,65)(H,55,61)(H,56,62)(H,57,66)(H,58,68)(H,59,67)(H,60,64)/t26-,33-,34-,35-,36-,37-,39-/m0/s1
InChIKey
PESSCGOLEUORDO-IFIOYJEKSA-N
PubChem Compound ID
13049019
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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