CHEMBL3612942 [241740]
CHEMBL3612942
| SMILES | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CC4)cc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O |
| InChIKey | ATXRZGVYMWHPDJ-UXUGMQHLSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 4 |
| Log P | 2.149 |
| Molecular weight (Da) | 483.1 |
| 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 |
CHEMBL3612942
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