CHEMBL354210
SMILES | O=C(NCCN1CCN(C2CCCc3ccccc32)CC1)c1ccccc1 |
InChIKey | GFORNYWGPFXWHV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 363.2 |
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 |
H1 | HRH1 | Rat | Histamine | A | pKi | 7.16 | 7.34 | 7.52 | ChEMBL |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 4.66 | 4.66 | 4.66 | ChEMBL |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 6.89 | 6.92 | 6.96 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.96 | 9.18 | 9.4 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 7.44 | 7.64 | 7.85 | ChEMBL |