CHEMBL2148212 [161986]
CHEMBL2148212
| SMILES | CCCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c2ccccc2OC)CC1)[C@H]1CCc2nc(N)sc2C1 |
| InChIKey | RTZXDWJBNNRLSB-JQRKSPEWSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 10 |
| Log P | 5.082 |
| Molecular weight (Da) | 496.3 |
| 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 |
CHEMBL2148212
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