CHEMBL568277 [385125]
CHEMBL568277
| SMILES | CNC(=O)[C@]12C[C@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)O)nc31)[C@@H](O)[C@H]2O |
| InChIKey | VWHZKAYCOHCKRI-DRWADIHUSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 8 |
| Log P | 1.727 |
| Molecular weight (Da) | 538.2 |
| 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 |
CHEMBL568277
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