Drug Information

Drug General Information
Drug ID
D0Q3IE
Former ID
DNC004130
Drug Name
Pro-His-Pro-His-Phe-Phe-Val-Tyr-Lys
Indication Discovery agent Investigative [533536]
Structure
Download
2D MOL

3D MOL
Formula
C69H87N15O12
Canonical SMILES
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)O)NC(<br />=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CN=C<br />N4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6CCCN6C(=O)C(CC7=CN=CN7)<br />NC(=O)C8CCCN8
InChI
1S/C69H87N15O12/c1-42(2)59(67(93)81-54(35-46-25-27-49(85)28-26-46)61(87)76-51(69(95)96)22-12-13-29-70)83-65(91)55(34-45-20-10-5-11-21-45)78-62(88)52(32-43-16-6-3-7-17-43)77-64(90)56(36-47-38-71-40-74-47)79-63(89)53(33-44-18-8-4-9-19-44)80-66(92)58-24-15-31-84(58)68(94)57(37-48-39-72-41-75-48)82-60(86)50-23-14-30-73-50/h3-11,16-21,25-28,38-42,50-59,73,85H,12-15,22-24,29-37,70H2,1-2H3,(H,71,74)(H,72,75)(H,76,87)(H,77,90)(H,78,88)(H,79,89)(H,80,92)(H,81,93)(H,82,86)(H,83,91)(H,95,96)/t50-,51+,52+,53+,54+,55+,56+,57+,58-,59+/m1/s1
InChIKey
AIRMFERKNRDUKD-KKFBCCNDSA-N
PubChem Compound ID
44346191
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.