valategrast (CHEBI:752863)

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CHEBI:752863 - valategrast

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ChEBI ID	CHEBI:752863
ChEBI Name	valategrast
Stars
Last Modified	29 June 2026
Submitter	chembl-etl
Downloads	Molfile

Formula	C30H32Cl3N3O4
Net Charge	0
Average Mass	604.962
Monoisotopic Mass	603.14584
SMILES	CCN(CC)CCOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1c(C)cccc1Cl
InChI	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

Roles Classification

anti-asthmatic agent Any compound that has anti-asthmatic effects.

ChEBI Ontology

Outgoing Relation(s)
	valategrast (CHEBI:752863) has role anti-asthmatic agent (CHEBI:65023)
	valategrast (CHEBI:752863) is a phenylalanine derivative (CHEBI:25985)

INN	Source
valategrast	WHO MedNet

Synonyms	Source
R-411 FREE BASE	ChEMBL
R411 FREE BASE	ChEMBL
RO-0272441	ChEMBL
RO0272441	ChEMBL