CHEMBL210567
SMILES | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1 |
InChIKey | ZKXPPFSIRYLWQE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 497.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2A | 5HT2A | Pig | 5-Hydroxytryptamine | A | pKi | 5.66 | 5.66 | 5.66 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.96 | 8.08 | 8.27 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.18 | 6.24 | 6.31 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.52 | 9.18 | 9.72 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.24 | 7.42 | 7.6 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.62 | 7.88 | 8.25 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |