verlukast


SMILES OC(=O)CCS[C@H](c1cccc(c1)/C=C/c1ccc2c(n1)cc(cc2)Cl)SCCC(=O)N(C)C
InChIKey AXUZQJFHDNNPFG-LHAVAQOQSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 514.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P1 S1PR1 Human Lysophospholipid (S1P) A pKi 6.26 6.26 6.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P5 S1PR5 Human Lysophospholipid (S1P) A pEC50 6.59 6.59 6.59 ChEMBL
S1P1 S1PR1 Human Lysophospholipid (S1P) A pEC50 5.94 5.94 5.94 ChEMBL