CHEMBL1084736 [21333]
CHEMBL1084736
| SMILES | C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C#N)cc2)c2ccccc12 |
| InChIKey | BNHNNXHEHWISKR-LJQANCHMSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Log P | 4.519 |
| Molecular weight (Da) | 433.2 |
| 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 |
CHEMBL1084736
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