CHEMBL137781
SMILES | C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 |
InChIKey | DUKNIHFTDAXJON-MUIJYRPGSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 1 |
Molecular weight (Da) | 335.2 |
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 |
D1 | DRD1 | Mouse | Dopamine | A | pKi | 6.64 | 6.64 | 6.64 | ChEMBL |
5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 7.64 | 7.64 | 7.64 | ChEMBL |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.43 | 8.43 | 8.43 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.89 | 7.89 | 7.89 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.36 | 7.36 | 7.36 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.34 | 5.34 | 5.34 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.96 | 8.96 | 8.96 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.22 | 7.22 | 7.22 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |