CHEMBL1672566
| SMILES | Cc1ccc(Cc2ccc3sc(-c4ccc(CN5CC(C(=O)O)C5)cc4F)nc3c2)cc1 |
| InChIKey | DVOGTSKLZICFMB-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 446.1 |
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 | 5.75 | 5.75 | 5.75 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.11 | 7.11 | 7.11 | ChEMBL |