CHEMBL514170
| SMILES | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 |
| InChIKey | KVYQKSXTMZHEPB-VWLOTQADSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 479.2 |
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 |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pIC50 | 8.02 | 8.02 | 8.02 | ChEMBL |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 8.31 | 8.31 | 8.31 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.26 | 7.26 | 7.26 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 8.99 | 8.99 | 8.99 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.43 | 8.04 | 8.66 | ChEMBL |