Drug General Information
Drug ID
D01UNT
Former ID
DNC000773
Drug Name
ICI 200,880
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535494], [537900]
Structure
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2D MOL

3D MOL

Formula
C30H34ClF3N4O7S
Canonical SMILES
CC(C)C(C(=O)C(F)(F)F)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C2<br />=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
1S/C30H34ClF3N4O7S/c1-16(2)23(25(39)30(32,33)34)35-28(42)22-6-5-15-38(22)29(43)24(17(3)4)36-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22?,23?,24-/m1/s1
InChIKey
YGPYJEFIYYPEEE-KXTRFFEISA-N
CAS Number
CAS 105080-50-0
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Leukocyte elastase Target Info Inhibitor [535494], [537900]
KEGG Pathway Transcriptional misregulation in cancer
Systemic lupus erythematosus
Pathway Interaction Database Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
C-MYB transcription factor network
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
WikiPathways Hair Follicle Development: Cytodifferentiation (Part 3 of 3)
Human Complement System
Degradation of collagen
References
Ref 535494Neutrophil elastase inhibitors as treatment for COPD. Expert Opin Investig Drugs. 2002 Jul;11(7):965-80.
Ref 537900Neutrophil elastase inhibitor ICI 200,880 protects against attenuation of coronary flow reserve and myocardial dysfunction following temporary coronary artery occlusion in the dog. Cardiovasc Res. 1994 Jul;28(7):947-56.
Ref 535494Neutrophil elastase inhibitors as treatment for COPD. Expert Opin Investig Drugs. 2002 Jul;11(7):965-80.
Ref 537900Neutrophil elastase inhibitor ICI 200,880 protects against attenuation of coronary flow reserve and myocardial dysfunction following temporary coronary artery occlusion in the dog. Cardiovasc Res. 1994 Jul;28(7):947-56.

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