CHEMBL5416458 [388412]
CHEMBL5416458
| SMILES | CC1=NN(Cc2nc3ccc(C(=O)O)cc3n2C[C@@H]2CCO2)CCN1c1cccc(OCc2ccc(C#N)cc2F)n1 |
| InChIKey | JGAMABODOLZDCQ-QHCPKHFHSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Log P | 4.164 |
| Molecular weight (Da) | 569.2 |
| 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 |
CHEMBL5416458
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