CHEMBL5845857 [424700]
CHEMBL5845857
| SMILES | C[C@H]1CN(c2cccc(OCc3ccc(C#N)cc3F)n2)CCN1Cc1nc2ccc(C(=O)O)cc2n1Cc1cncn1C |
| InChIKey | CNODQZZKYGRRAS-NRFANRHFSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Log P | 4.212 |
| Molecular weight (Da) | 594.2 |
| 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 |
CHEMBL5845857
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