Structure

InChI Key DCSUBABJRXZOMT-UHFFFAOYSA-N
Smiles COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC
InChI
InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H29ClFN3O4
Molecular Weight 465.95
AlogP 3.36
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 86.05
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 4 (5-HT4) receptor agonist AGONIST DailyMed Wikipedia
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
100 - 1-63.1 14.3-20 98.1
Homo sapiens
79.43 6.457-227 - 6.31-794.33 65.5-100
Oryctolagus cuniculus
- - 79.43-316.23 - 10.6
Rattus norvegicus
54.7-58.88 680-900 - 94.7-227 -

Target Conservation

Protein: Serotonin 4 (5-HT4) receptor

Description: 5-hydroxytryptamine receptor 4

Organism : Homo sapiens

Q13639 ENSG00000164270

Related Entries

Cross References

Resources Reference
ChEBI 95129
ChEMBL CHEMBL1729
DrugCentral 660
FDA SRS UVL329170W
Guide to Pharmacology 240
KEGG C06910
PharmGKB PA449011
PubChem 6917698
SureChEMBL SCHEMBL16131