CHEMBL2113135 [160520]
CHEMBL2113135
| SMILES | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3cc[nH]c23)CC1)[C@H]1Cc2ccccc2CN1 |
| InChIKey | XEHPJDSSJIWLTF-KAYWLYCHSA-N |
Chemical Properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 6 |
| Log P | 3.912 |
| Molecular weight (Da) | 541.2 |
| Stereochemistry info | unspecified |
Database connections
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 |
CHEMBL2113135
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