Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0O6GN
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| Former ID |
DNC002639
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| Drug Name |
Mdl 101,146
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| Synonyms |
UNII-2D08A509S3; CHEBI:45517; CHEMBL56852; 1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE; 2D08A509S3; Mdl 101,146; N-[4-(morpholin-4-ylcarbonyl)benzoyl]-L-valyl-N-[(3S)-5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl]-L-prolinamide; N-{[4-(morpholin-4-ylcarbonyl)phenyl]carbonyl}-L-valyl-N-[(1S)-3,3,4,4,4-pentafluoro-1-(1-methylethyl)-2-oxobutyl]-L-prolinamide; MDL-101146, (S)-; AC1NRD4J; BDBM50058341; 163660-59-1
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| Drug Type |
Small molecular drug
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| Indication | Inflammation [ICD-11: 1A00-CA43.1] | Terminated | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C29H37F5N4O6
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| Canonical SMILES |
CC(C)C(C(=O)C(C(F)(F)F)(F)F)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)C(=O)N3CCOCC3
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| InChI |
1S/C29H37F5N4O6/c1-16(2)21(23(39)28(30,31)29(32,33)34)35-25(41)20-6-5-11-38(20)27(43)22(17(3)4)36-24(40)18-7-9-19(10-8-18)26(42)37-12-14-44-15-13-37/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,35,41)(H,36,40)/t20-,21-,22-/m1/s1
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| InChIKey |
XQAMVCHQGHAELT-YPAWHYETSA-N
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| CAS Number |
CAS 149859-17-6
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Neutrophil elastase (NE) | Target Info | Inhibitor | [2] |
| Pancreatic elastase 1 (CELA1) | Target Info | Inhibitor | [2] | |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007771) | |||
| REF 2 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
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