CHEMBL461023
SMILES | COc1cccc2cc3n(c12)CCN(CCCCNC(=O)C1=Cc2ccccc2CN1)C3 |
InChIKey | AKMKMWQSLNWMNJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 430.2 |
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 |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.47 | 7.47 | 7.47 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.47 | 7.47 | 7.47 | PDSP Ki database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.55 | 7.55 | 7.55 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |