CHEMBL69385
SMILES | COc1ccc(N2CCN(CCC3OCCc4cc(C(N)=O)ccc43)CC2)cc1 |
InChIKey | OCFFXDBBLHVFSW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 395.2 |
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 | Western lowland gorilla | 5-Hydroxytryptamine | A | pKi | 5.23 | 5.23 | 5.23 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.98 | 5.98 | 5.98 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.61 | 5.61 | 5.61 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.46 | 6.46 | 6.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |