CHEMBL1086158


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 529.2

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 8.1 8.1 8.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P3 S1PR3 Human Lysophospholipid (S1P) A pEC50 5.88 5.88 5.88 ChEMBL
S1P1 S1PR1 Human Lysophospholipid (S1P) A pEC50 7.7 7.7 7.7 ChEMBL