CHEMBL3618200
SMILES | NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 |
InChIKey | CZCDHQVZWHDWFG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 595.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
S1P2 | S1PR2 | Rat | Lysophospholipid (S1P) | A | pIC50 | 8.24 | 8.24 | 8.24 | ChEMBL |
S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.41 | 7.41 | 7.41 | ChEMBL |