CHEMBL3133705
SMILES | NC(CO)(CCc1ccc(Oc2ccc(Cc3ccc(Cl)cc3)cc2)cc1)COP(=O)(O)O |
InChIKey | LUGXTNVFSDBPSU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 491.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.77 | 5.77 | 5.77 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.59 | 6.59 | 6.59 | ChEMBL |