CHEMBL26929
SMILES | COc1ccccc1N1CCN(CCCC2CCCc3c(OC)cccc32)CC1 |
InChIKey | INGWKGCHJJYQIB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 394.3 |
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 |
D2 | DRD2 | Rat | Dopamine | A | pKi | 8.15 | 8.15 | 8.15 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.43 | 7.43 | 7.43 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 7.7 | 7.74 | 7.75 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 7.22 | 7.22 | 7.22 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 9.11 | 9.21 | 9.49 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |