CHEMBL4072780
SMILES | O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5c4OCC(=O)N5)CC3)cc2N1 |
InChIKey | DEKJLYJRFGCPNK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 466.2 |
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 |
D5 | DRD5 | Human | Dopamine | A | pKi | 5.38 | 5.38 | 5.38 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 9.06 | 9.12 | 9.17 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.37 | 6.37 | 6.37 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 4.92 | 4.92 | 4.92 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.08 | 8.08 | 8.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 7.04 | 7.04 | 7.04 | ChEMBL |