CHEMBL3403619
| SMILES | O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 |
| InChIKey | ISBCPWVJRHMKFI-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 472.2 |
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 |
| S1P1 | W5VNF7 | Dog | Lysophospholipid (S1P) | A | pEC50 | 10.4 | 10.4 | 10.4 | ChEMBL |
| S1P1 | S1PR1 | Rat | Lysophospholipid (S1P) | A | pEC50 | 10.4 | 10.4 | 10.4 | ChEMBL |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.24 | 8.24 | 8.24 | ChEMBL |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.58 | 7.58 | 7.58 | ChEMBL |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.92 | 9.89 | 10.52 | ChEMBL |
| S1P1 | S1PR1 | Mouse | Lysophospholipid (S1P) | A | pEC50 | 10.3 | 10.3 | 10.3 | ChEMBL |