Drug Information

Drug General Information
Drug ID
D0G9DJ
Former ID
DNC004361
Drug Name
Iva-His-Pro-Phe-His-AHPPA-Leu-Phe-NH2
Indication Discovery agent Investigative [533493]
Structure
Download
2D MOL

3D MOL
Formula
C57H74N12O9
Canonical SMILES
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)CC(C(CC2=CC=C<br />C=C2)NC(=O)C(CC3=CN=CN3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C5CC<br />CN5C(=O)C(CC6=CN=CN6)NC(=O)CC(C)C)O
InChI
1S/C57H74N12O9/c1-35(2)23-44(53(74)66-43(52(58)73)26-38-17-10-6-11-18-38)63-51(72)30-49(70)42(25-37-15-8-5-9-16-37)65-55(76)46(28-40-31-59-33-61-40)67-54(75)45(27-39-19-12-7-13-20-39)68-56(77)48-21-14-22-69(48)57(78)47(29-41-32-60-34-62-41)64-50(71)24-36(3)4/h5-13,15-20,31-36,42-49,70H,14,21-30H2,1-4H3,(H2,58,73)(H,59,61)(H,60,62)(H,63,72)(H,64,71)(H,65,76)(H,66,74)(H,67,75)(H,68,77)
InChIKey
OXZWHUWYDVRMCP-UHFFFAOYSA-N
PubChem Compound ID
44295266
Target and Pathway
Target(s) Renin, renal Target Info Inhibitor [533493]
KEGG Pathway Renin-angiotensin system
PathWhiz Pathway Angiotensin Metabolism
Reactome Metabolism of Angiotensinogen to Angiotensins
WikiPathways ACE Inhibitor Pathway
Metabolism of Angiotensinogen to Angiotensins
References
Ref 533493J Med Chem. 1985 Dec;28(12):1779-90.Renin inhibitors. Syntheses of subnanomolar, competitive, transition-state analogue inhibitors containing a novel analogue of statine.
Ref 533493J Med Chem. 1985 Dec;28(12):1779-90.Renin inhibitors. Syntheses of subnanomolar, competitive, transition-state analogue inhibitors containing a novel analogue of statine.

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