CHEMBL1592119
| SMILES | COc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 |
| InChIKey | YHBZVALAQMDBFH-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 375.0 |
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 | 4.95 | 4.95 | 4.95 | ChEMBL |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 6.79 | 6.79 | 6.79 | ChEMBL |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.32 | 5.32 | 5.32 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.01 | 5.01 | 5.01 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.03 | 5.03 | 5.03 | ChEMBL |