CHEMBL2113074 [155163]
CHEMBL2113074
| SMILES | O=C(Nc1ccc2[nH]ccc2c1)N[C@@H]1CCCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1 |
| InChIKey | YHFFIZVSOADVRF-JEYPMZLKSA-N |
Chemical Properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 6 |
| Log P | 5.942 |
| Molecular weight (Da) | 462.3 |
| Stereochemistry info | full |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL2113074
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0