CHEMBL5748579 [405753]
CHEMBL5748579
| SMILES | COCn1cnc2c(C[C@H](C)S(=O)(=O)Nc3nnc(-c4ccco4)n3-c3c(OC)cccc3OC)ncc(F)c21 |
| InChIKey | VKTPXOMKMFVVBO-HNNXBMFYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 11 |
| Log P | 3.405 |
| Molecular weight (Da) | 571.2 |
| 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 |
CHEMBL5748579
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