CHEMBL2113713 [160984]
CHEMBL2113713
| SMILES | Cc1cc(C)cc(-c2c(OCC[C@@H]3CCC[C@H](CCCc4ccccc4)N3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 |
| InChIKey | MLHPNHRKJDBAIO-UIOOFZCWSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 10 |
| Log P | 7.676 |
| Molecular weight (Da) | 573.2 |
| Stereochemistry info | full |
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 |
CHEMBL2113713
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