CHEMBL4592753
SMILES | O=C(CN1CCN(c2ccccn2)CC1)Nc1cccnc1 |
InChIKey | MVUXSAGLLJPWRN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 297.2 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.19 | 5.19 | 5.19 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pEC50 | 5.58 | 5.78 | 5.97 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 4.06 | 4.32 | 4.59 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 5.55 | 5.55 | 5.55 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 4.31 | 5.01 | 5.71 | ChEMBL |