CHEMBL5805776 [411274]
CHEMBL5805776
| SMILES | C[C@@H](C(C(N)=O)n1c(-c2cccc(Cl)c2)nc2ccc([C@H]3C[C@@H](CN4CCCCC4)C3)cc2c1=O)C(F)(F)F |
| InChIKey | ALSWKTONHWSGLN-VOHDLFFRSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Log P | 5.921 |
| Molecular weight (Da) | 560.2 |
| Stereochemistry info | partial |
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 |
CHEMBL5805776
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