CHEMBL224971 [176095]
CHEMBL224971
| SMILES | Nc1nc(N2CCN3C[C@@H](CNCc4ccncc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12 |
| InChIKey | SJAYFBZBYNVSRV-MSOLQXFVSA-N |
Chemical Properties
| Hydrogen bond acceptors | 11 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Log P | 1.447 |
| Molecular weight (Da) | 460.2 |
| 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 |
CHEMBL224971
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