CHEMBL2112106 [160072]
CHEMBL2112106
| SMILES | OC[C@H]1O[C@H](n2cnc3c(NC4CC5CC4[C@H]4O[C@@H]54)ncnc32)[C@@H](O)[C@H]1O |
| InChIKey | NONUAFMNQOSNMV-LMMCOWNLSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 4 |
| Log P | -0.974 |
| Molecular weight (Da) | 375.2 |
| Stereochemistry info | partial |
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 |
CHEMBL2112106
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