CHEMBL1681863 [120993]
CHEMBL1681863
| SMILES | C[C@H]1CN(c2ncc(C(=N)N)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 |
| InChIKey | CYLDPHMITYTBEQ-INIZCTEOSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Log P | 3.848 |
| Molecular weight (Da) | 460.2 |
| 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 |
CHEMBL1681863
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