CHEMBL1269387 [42008]
CHEMBL1269387
| SMILES | CS(=O)(=O)N1CCC(C(CCN2C[C@@H]3CN(C(=O)S(=O)(=O)c4ccc(C#N)cc4Cl)C[C@@H]3C2)c2ccccc2)CC1 |
| InChIKey | KNHCVYDKPHQRAR-IQCGEYIDSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 7 |
| Log P | 3.814 |
| Molecular weight (Da) | 618.2 |
| 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 |
CHEMBL1269387
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