CHEMBL29951
SMILES | CCCN(CCC)C1CCc2cccc(OCCCCCCOc3cccc4c3CC(N(CCC)CCC)CC4)c2C1 |
InChIKey | HLPZOVNKHVYFCY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 19 |
Molecular weight (Da) | 576.5 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.41 | 8.41 | 8.41 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pEC50 | 7.3 | 7.3 | 7.3 | ChEMBL |