CHEMBL6040336 [462491]
CHEMBL6040336
| SMILES | [C-]#[N+]c1cc(F)ccc1CCS(=O)(=O)Nc1nnc([C@H]2CCCO2)n1-c1c(OC)cccc1OC |
| InChIKey | KHYSBERSDXERRZ-HXUWFJFHSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Log P | 3.810 |
| Molecular weight (Da) | 501.1 |
| 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 |
CHEMBL6040336
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