Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9073C0W4E9

Structure

InChI Key DTTGUKXBOVDIES-UHFFFAOYSA-N
Smile COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCC1C2
InChI
InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-3-5-19-4-2-9(13)8-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H22ClN3O2
Molecular Weight 323.82
AlogP 2.14
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 67.59
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Serotonin 3 (5-HT3) receptor antagonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Irritable Bowel Syndrome 3 D043183 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 112727-80-7
ChEMBL CHEMBL296522
FDA SRS 9073C0W4E9
Guide to Pharmacology 244
SureChEMBL SCHEMBL4534994