CHEMBL227371


SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1
InChIKey MYSPJHRAIVKWQS-MRXNPFEDSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 372.2

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
S1P3 S1PR3 Human Lysophospholipid (S1P) A pKi 6.52 6.52 6.52 ChEMBL
S1P1 S1PR1 Human Lysophospholipid (S1P) A pKi 7.52 7.52 7.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P5 S1PR5 Human Lysophospholipid (S1P) A pEC50 6.32 6.8 7.28 ChEMBL
S1P4 S1PR4 Human Lysophospholipid (S1P) A pEC50 6.3 6.61 6.92 ChEMBL
S1P3 S1PR3 Human Lysophospholipid (S1P) A pEC50 6.35 6.35 6.35 ChEMBL
S1P1 S1PR1 Human Lysophospholipid (S1P) A pEC50 7.24 7.24 7.24 ChEMBL