CHEMBL5920333 [431704]
CHEMBL5920333
| SMILES | COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2ncc(C)cn2)nnc1[C@H]1CCC(C)(C)O1 |
| InChIKey | NEGKVGKUVYAGIE-QTGUNEKASA-N |
Chemical Properties
| Hydrogen bond acceptors | 11 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 11 |
| Log P | 4.310 |
| Molecular weight (Da) | 574.3 |
| 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 |
CHEMBL5920333
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