CHEMBL2397389
SMILES | C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1 |
InChIKey | PWZPBZQTTHOCIS-MHZLTWQESA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 414.3 |
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 |
D1 | DRD1 | Pig | Dopamine | A | pKi | 6.52 | 6.52 | 6.52 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.22 | 7.73 | 8.24 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 4.75 | 4.75 | 4.75 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.37 | 9.14 | 9.92 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 4.55 | 4.55 | 4.55 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.75 | 8.17 | 9.22 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 5.62 | 6.66 | 7.26 | ChEMBL |