CHEMBL1457510
SMILES | COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 |
InChIKey | TUTLRKKYUXPDGN-HNNXBMFYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 1 |
Molecular weight (Da) | 325.1 |
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 | 7.82 | 7.82 | 7.82 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.19 | 8.2 | 8.2 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.08 | 7.08 | 7.08 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.04 | 6.04 | 6.04 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.84 | 7.07 | 7.31 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Human | Dopamine | A | pIC50 | 4.76 | 4.76 | 4.76 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pEC50 | 4.8 | 4.8 | 4.8 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 4.87 | 4.87 | 4.87 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |