Details of the Drug

General Information of Drug (ID: DM9AKDK)

Drug Name

Valategrast

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

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Discontinued in Phase 2	[1]
------------------------------------------------------------------------------------

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C30H32Cl3N3O4
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
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
InChIKey: VZVNFRFMDNFPOM-VWLOTQADSA-N

Cross-matching ID

PubChem CID: 11563636
CAS Number: 220847-86-9
TTD ID: D0PW0G

References

1	Small molecules, big targets: drug discovery faces the protein-protein interaction challenge.Nat Rev Drug Discov. 2016 Aug;15(8):533-50.