Drug Information

Drug General Information
Drug ID
D0K0OY
Former ID
DNC004131
Drug Name
Glu-Trp-Pro-Arg-Pro-Gln-Ile-Pro-Pro
Indication Discovery agent Investigative [533536]
Structure
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2D MOL

3D MOL
Formula
C53H78N14O13
Canonical SMILES
CCC(C)C(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)O)NC(=O)C(CCC(=O)N<br />)NC(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)C4CCCN4C(=O)C(CC5<br />=CNC6=CC=CC=C65)NC(=O)C(CCC(=O)O)N
InChI
1S/C53H78N14O13/c1-3-29(2)43(51(78)66-25-9-16-39(66)50(77)67-26-10-17-40(67)52(79)80)63-45(72)34(19-20-41(55)68)60-46(73)37-14-7-23-64(37)48(75)35(13-6-22-58-53(56)57)61-47(74)38-15-8-24-65(38)49(76)36(62-44(71)32(54)18-21-42(69)70)27-30-28-59-33-12-5-4-11-31(30)33/h4-5,11-12,28-29,32,34-40,43,59H,3,6-10,13-27,54H2,1-2H3,(H2,55,68)(H,60,73)(H,61,74)(H,62,71)(H,63,72)(H,69,70)(H,79,80)(H4,56,57,58)/t29-,32-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1
InChIKey
RDZJYRCUGADIDN-AXPLDACSSA-N
PubChem Compound ID
44346192
Target and Pathway
Target(s) Renin, renal Target Info Inhibitor [533536]
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 533536J Med Chem. 1981 Apr;24(4):355-61.Inhibition of the renin-angiotensin system. A new approach to the therapy of hypertension.
Ref 533536J Med Chem. 1981 Apr;24(4):355-61.Inhibition of the renin-angiotensin system. A new approach to the therapy of hypertension.

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