CHEMBL3703199
| SMILES | CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1 |
| InChIKey | OHOPIJDKZBJLAT-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 577.3 |
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 | 8.02 | 8.02 | 8.02 | ChEMBL |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 8.15 | 8.15 | 8.15 | ChEMBL |