CHEMBL2064647 [158336]
CHEMBL2064647
| SMILES | CCc1ccc(C#Cc2nc(NC)c3ncn([C@H]4[C@H](O)[C@H](O)[C@]5(C(=O)NC)C[C@H]45)c3n2)cc1 |
| InChIKey | ZRHOKPRTIMSQEX-RCGKAVQVSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 4 |
| Log P | 0.859 |
| Molecular weight (Da) | 446.2 |
| 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 |
CHEMBL2064647
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