Drug Information

Drug General Information
Drug ID
D04QIA
Former ID
DNC009741
Drug Name
Ro-66-1168
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530066]
Structure
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2D MOL

3D MOL
Formula
C36H47N3O5
Canonical SMILES
CC(=O)NCCN1CCCC2=C1C=C(C=C2)COC3CNCCC3C4=CC=C(C=C4)OCCC<br />OCC5=CC=CC=C5OC
InChI
1S/C36H47N3O5/c1-27(40)38-18-20-39-19-5-8-30-11-10-28(23-34(30)39)25-44-36-24-37-17-16-33(36)29-12-14-32(15-13-29)43-22-6-21-42-26-31-7-3-4-9-35(31)41-2/h3-4,7,9-15,23,33,36-37H,5-6,8,16-22,24-26H2,1-2H3,(H,38,40)/t33-,36+/m1/s1
InChIKey
YKAHCPSTICMMFK-ILFWFZRHSA-N
PubChem Compound ID
9851682
Target and Pathway
Target(s) Renin, renal Target Info Inhibitor [530066]
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 530066J Med Chem. 2009 Jun 25;52(12):3689-702.Design and preparation of potent, nonpeptidic, bioavailable renin inhibitors.
Ref 530066J Med Chem. 2009 Jun 25;52(12):3689-702.Design and preparation of potent, nonpeptidic, bioavailable renin inhibitors.

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