Structure

InChI Key QZRSNVSQLGRAID-UHFFFAOYSA-N
Smile COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1.O=C(O)CCC(=O)O
InChI
InChI=1S/C18H26ClN3O3.C4H6O4/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14;5-3(6)1-2-4(7)8/h11-12H,2-10,20H2,1H3,(H,21,23);1-2H2,(H,5,6)(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32ClN3O7
Molecular Weight 485.97
AlogP 2.09
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 76.82
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Constipation 4 D003248 FDA

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
37.07
General disorders and administration site conditions
23.41
Nervous system disorders
13.17
Injury, poisoning and procedural complications
6.34
Psychiatric disorders
6.34
Investigations
3.41
Cardiac disorders
2.93
Vascular disorders
2.44

Cross References

Resources Reference
ChEMBL CHEMBL2105748
FDA SRS 4V2G75E1CK
PubChem 9870009
SureChEMBL SCHEMBL1230437