CHEMBL189554 [139800]
CHEMBL189554
| SMILES | NCCCCn1c(SCCc2c[nH]c3ccc(Cl)cc23)nnc1-c1ccc2ccccc2n1 |
| InChIKey | JZSSOKLDWIJDBZ-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Log P | 5.702 |
| Molecular weight (Da) | 476.2 |
| Stereochemistry info | unspecified |
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 |
CHEMBL189554
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