Drug Information

Drug General Information
Drug ID
D0L0QR
Former ID
DNC007963
Drug Name
CHYMOSTATIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528779]
Structure
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2D MOL

3D MOL
Formula
C31H41N7O6
Canonical SMILES
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)C(C2CCN=C(N2)N)N<br />C(=O)NC(CC3=CC=CC=C3)C(=O)O
InChI
1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23-,24-,25-,26-/m0/s1
InChIKey
MRXDGVXSWIXTQL-LROMGURASA-N
CAS Number
CAS 9076-44-2
PubChem Compound ID
443119
Target and Pathway
Target(s) Chymase Target Info Inhibitor [528779]
KEGG Pathway Renin-angiotensin system
Reactome Activation of Matrix Metalloproteinases
Metabolism of Angiotensinogen to Angiotensins
WikiPathways ACE Inhibitor Pathway
Metabolism of Angiotensinogen to Angiotensins
References
Ref 528779Bioorg Med Chem Lett. 2007 Jun 15;17(12):3431-4. Epub 2007 Mar 16.Identification of 6-substituted 4-arylsulfonyl-1,4-diazepane-2,5-diones as a novel scaffold for human chymase inhibitors.
Ref 528779Bioorg Med Chem Lett. 2007 Jun 15;17(12):3431-4. Epub 2007 Mar 16.Identification of 6-substituted 4-arylsulfonyl-1,4-diazepane-2,5-diones as a novel scaffold for human chymase inhibitors.

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