CHEMBL1806875 [136299]
CHEMBL1806875
| SMILES | CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CCCC[C@@H]2CCSS2)c1-3 |
| InChIKey | JCKSBFDVTFRZJP-FYYLOGMGSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 8 |
| Log P | 6.838 |
| Molecular weight (Da) | 467.2 |
| Stereochemistry info | full |
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 |
CHEMBL1806875
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