compound 15 [PMID: 33738061]


SMILES C(C)(C)(C)[C@@H]1CC[C@H](CC1)OC2=C(C3=CC=CC=C3C(=C2)C)CN4CCC(CC4)C(=O)O
InChIKey KVRMGFKQCUEJMS-HZCBDIJESA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 437.3

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
S1P5 S1PR5 Human Lysophospholipid (S1P) A pKi 8.36 8.36 8.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P5 S1PR5 Human Lysophospholipid (S1P) A pIC50 10.0 10.0 10.0 Guide to Pharmacology
S1P5 S1PR5 Human Lysophospholipid (S1P) A pEC50 10.0 10.0 10.0 ChEMBL