CHEMBL334325
SMILES | COc1cccc(N2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1 |
InChIKey | VUPLWNSHTPTZLS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 419.2 |
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 | Human | 5-Hydroxytryptamine | A | pKi | 8.52 | 8.52 | 8.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pIC50 | 8.52 | 8.52 | 8.52 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pIC50 | 7.3 | 7.3 | 7.3 | ChEMBL |