CHEMBL35226
SMILES | CCCN1CCC(COc2nc3ccccc3c3c2CCCN3)CC1 |
InChIKey | UTMXFLLOSBJGIE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 339.2 |
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 |
5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 8.54 | 8.54 | 8.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT4 | 5HT4R | Mouse | 5-Hydroxytryptamine | A | pIC50 | 9.25 | 9.25 | 9.25 | ChEMBL |
V1B | V1BR | Rat | Vasopressin and oxytocin | A | pIC50 | 5.5 | 5.5 | 5.5 | ChEMBL |
V2 | V2R | Pig | Vasopressin and oxytocin | A | pIC50 | 4.96 | 4.96 | 4.96 | ChEMBL |
5-HT1A | 5HT1A | Mouse | 5-Hydroxytryptamine | A | pIC50 | 5.04 | 5.04 | 5.04 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.7 | 6.7 | 6.7 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.47 | 5.47 | 5.47 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.47 | 5.47 | 5.47 | ChEMBL |