Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0PW0G
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| Drug Name |
Valategrast
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| Synonyms |
220847-86-9; Valategrast (R411); UNII-06DM4KX7JG; 06DM4KX7JG; Valategrast [INN]; SCHEMBL480224; CHEMBL2107792; ZINC72190226; KB-81423; 2-(Diethylamino)ethyl N-(2-chloro-6-methylbenzoyl)-4-(2,6-dichlorobenzamido)-L-phenylalaninate
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| Indication | Asthma [ICD-11: CA23; ICD-10: J45, J45.8; ICD-9: 493] | Discontinued in Phase 2 | [1] | |
| Company |
Roche
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| Structure |
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Download2D MOL |
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| Formula |
C30H32Cl3N3O4
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| Canonical SMILES |
CCN(CC)CCOC(=O)C(CC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)Cl)NC(=O)C3=C(C=CC=C3Cl)C
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| InChI |
1S/C30H32Cl3N3O4/c1-4-36(5-2)16-17-40-30(39)25(35-28(37)26-19(3)8-6-9-22(26)31)18-20-12-14-21(15-13-20)34-29(38)27-23(32)10-7-11-24(27)33/h6-15,25H,4-5,16-18H2,1-3H3,(H,34,38)(H,35,37)/t25-/m0/s1
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| InChIKey |
VZVNFRFMDNFPOM-VWLOTQADSA-N
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| CAS Number |
CAS 220847-86-9
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Small molecules, big targets: drug discovery faces the protein-protein interaction challenge.Nat Rev Drug Discov. 2016 Aug;15(8):533-50. | |||
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