CHEMBL1910139
SMILES | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 |
InChIKey | PJPXYNKEROPCAD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 8 |
Molecular weight (Da) | 474.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.57 | 7.57 | 7.57 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.88 | 6.88 | 6.88 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.15 | 7.15 | 7.15 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 9.27 | 9.48 | 9.7 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.91 | 6.91 | 6.91 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.9 | 8.9 | 8.9 | ChEMBL |