Structure

InChI Key FOUUNSGQVBGYQM-SUMWQHHRSA-N
Smile COCCCN1CC[C@@H](CNC(=O)c2cc(Cl)c(N)c3c2OC(C)(C)C3)[C@H](O)C1
InChI
InChI=1S/C21H32ClN3O4/c1-21(2)10-15-18(23)16(22)9-14(19(15)29-21)20(27)24-11-13-5-7-25(12-17(13)26)6-4-8-28-3/h9,13,17,26H,4-8,10-12,23H2,1-3H3,(H,24,27)/t13-,17+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H32ClN3O4
Molecular Weight 425.96
AlogP 2.08
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 97.05
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Serotonin 4 (5-HT4) receptor agonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastroesophageal Reflux 2 D005764 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3545035
EPA CompTox DTXSID30176429
FDA SRS 8C63R2Y02M
PubChem 9823762
SureChEMBL SCHEMBL505587
ZINC ZINC000003916772