CHEMBL5404195
| SMILES | O=C(O)c1cc(-c2ccc(C3(O)C[C@H]4CNC[C@@H]4C3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 |
| InChIKey | FULSVSNRHDJVLM-ZEQRLZLVSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 517.2 |
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 |
| P2Y14 | P2Y14 | Human | P2Y | A | pKi | 8.26 | 8.26 | 8.26 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.27 | 5.27 | 5.27 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.19 | 5.19 | 5.19 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.24 | 5.24 | 5.24 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y14 | P2Y14 | Mouse | P2Y | A | pIC50 | 8.17 | 8.17 | 8.17 | ChEMBL |
| P2Y14 | P2Y14 | Human | P2Y | A | pIC50 | 8.02 | 8.02 | 8.02 | ChEMBL |