NNC 11-1314


SMILES C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1
InChIKey SNSMIIQEKVYNOH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 325.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P1 S1PR1 Human Lysophospholipid (S1P) A pEC50 8.4 8.6 8.8 Guide to Pharmacology
S1P3 S1PR3 Human Lysophospholipid (S1P) A pEC50 7.8 8.6 9.4 Guide to Pharmacology
S1P5 S1PR5 Human Lysophospholipid (S1P) A pEC50 8.0 8.85 9.7 Guide to Pharmacology
S1P1 S1PR1 Human Lysophospholipid (S1P) A pEC50 9.1 9.1 9.1 ChEMBL
S1P3 S1PR3 Human Lysophospholipid (S1P) A pEC50 8.2 8.2 8.2 ChEMBL
S1P4 S1PR4 Human Lysophospholipid (S1P) A pEC50 8.3 8.35 8.4 Guide to Pharmacology
S1P4 S1PR4 Human Lysophospholipid (S1P) A pEC50 8.9 8.9 8.9 ChEMBL
S1P5 S1PR5 Human Lysophospholipid (S1P) A pEC50 8.7 8.7 8.7 ChEMBL