CHEMBL4457426
SMILES | COc1cc(/C=C/C(=O)NCCN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)ccc1O |
InChIKey | GRSPTEBOWFGVCL-VMPITWQZSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 11 |
Molecular weight (Da) | 515.2 |
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 | 7.0 | 7.0 | 7.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pIC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pEC50 | 8.35 | 8.35 | 8.35 | ChEMBL |