CHEMBL1082869


SMILES Cc1cc(S(=O)(=O)NCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIKey GZZVZWYVRPVSBJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 515.2

Drug properties

Molecular type Small molecule
Physiological/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 8.7 8.7 8.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P5 S1PR5 Human Lysophospholipid (S1P) A pEC50 6.94 6.94 6.94 ChEMBL
S1P3 S1PR3 Human Lysophospholipid (S1P) A pEC50 7.21 7.21 7.21 ChEMBL
S1P1 S1PR1 Human Lysophospholipid (S1P) A pEC50 8.52 8.52 8.52 ChEMBL