CHEMBL357448
SMILES | COc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1 |
InChIKey | KTPQCLNOFMRFDQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 383.2 |
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 |
D3 | DRD3 | Rat | Dopamine | A | pKi | 6.91 | 6.91 | 6.91 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.74 | 8.74 | 8.74 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.52 | 5.52 | 5.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 8.55 | 8.55 | 8.55 | ChEMBL |