A412997
SMILES | O=C(Nc1cccc(c1)C)CN1CCC(CC1)c1ccccn1 |
InChIKey | JFCDMGGMCUKHST-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 309.2 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.2 | 5.78 | 6.6 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.78 | 6.28 | 6.78 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.27 | 7.92 | 8.4 | ChEMBL |
D4 | DRD4 | Rat | Dopamine | A | pKi | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.23 | 5.23 | 5.23 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 6.72 | 6.95 | 7.17 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pEC50 | 6.33 | 7.58 | 8.57 | ChEMBL |