CHEMBL3680100 [258246]
CHEMBL3680100
| SMILES | C[C@H]1CCCCN1[C@H]1CCN(c2ccc(N3CCC4(CCN(S(=O)(=O)c5ccc(F)cc5)CC4)C3=O)cc2)C1 |
| InChIKey | FAQKUKDPVKOSEV-HOFKKMOUSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Log P | 4.487 |
| Molecular weight (Da) | 554.3 |
| 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 |
CHEMBL3680100
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