CHEMBL1449111 [80149]
CHEMBL1449111
| SMILES | CN(C)C=O.COCCn1c(SCc2nc(O)c3c(C)c(C(=O)OC)sc3n2)nc2ccccc21 |
| InChIKey | QQVDXRRWFOKQKN-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 11 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Log P | 3.485 |
| Molecular weight (Da) | 517.1 |
| 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 |
CHEMBL1449111
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