CHEMBL2089346 [159348]
CHEMBL2089346
| SMILES | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCCc3ccccc3)nc(C#Cc3ccccc3)nc21 |
| InChIKey | FYDDTVMINURRAI-IRYUZJHDSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 5 |
| Log P | 2.793 |
| Molecular weight (Da) | 451.2 |
| 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 |
CHEMBL2089346
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