CHEMBL121997 [39453]
CHEMBL121997
| SMILES | O=C(Cc1ccccc1)N[C@H]1C(CO)OC(n2cnc3c(NC4CCCC4)ncnc32)C1O |
| InChIKey | USKJPBZZRGELLH-PQHQFYCKSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 7 |
| Log P | 1.159 |
| Molecular weight (Da) | 452.2 |
| Stereochemistry info | partial |
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 |
CHEMBL121997
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