CHEMBL584554
SMILES | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 |
InChIKey | QIPWTYSOANVUKJ-WZONZLPQSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 428.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CXCR3 | CXCR3 | Rat | Chemokine | A | pIC50 | 7.13 | 7.13 | 7.13 | ChEMBL |
CXCR3 | CXCR3 | Human | Chemokine | A | pIC50 | 7.13 | 7.44 | 7.75 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 6.67 | 6.67 | 6.67 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 5.24 | 5.24 | 5.24 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.71 | 5.71 | 5.71 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.31 | 5.31 | 5.31 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.02 | 5.02 | 5.02 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.61 | 5.61 | 5.61 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.18 | 6.18 | 6.18 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.12 | 6.12 | 6.12 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.8 | 5.8 | 5.8 | ChEMBL |
CXCR3 | CXCR3 | Mouse | Chemokine | A | pIC50 | 6.7 | 7.25 | 7.52 | ChEMBL |