CHEMBL2115245 [161147]
CHEMBL2115245
| SMILES | Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@]23CCN1C/C=C/I |
| InChIKey | QPBQHWRLVDNKCB-KRTMNNNLSA-N |
Chemical Properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 2 |
| Log P | 4.399 |
| Molecular weight (Da) | 409.1 |
| 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 |
CHEMBL2115245
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