Pumosetrag
Basic information
- CAS
1055328-70-5- Standard SMILES
O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2ccsc2c1=O- InChIKey
AFUWQWYPPZFWCO-LBPRGKRZSA-N- Molecular formula
- C15H17N3O2S
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.10414797
Overview
DDP733 is an oral prokinetic drug which Dynogen is developing as a treatment for both Irritable Bowel Syndrome with constipation (IBS-c) and nocturnal gastroesophageal reflux disease (NGERD). It is a partial agonist of the serotonin type 3 receptor (5-HT3). Serotonin is a neurotransmitter that is known to be involved in the control of the gastrointestinal (GI) system. Preclinical studies of DDP733 established the compound’s prokinetic properties (the ability to promote the motility of the GI tract).
Names & identifiers
- Preferred name
- Pumosetrag
- IUPAC
- N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
Names & synonyms
Pumosetrag153062-94-3MKC-733DDP-7331G26B32139DTXSID70165211N-((3R)-1-Azabicyclo(2.2.2)oct-3-yl)-7-oxo-4,7-dihydrothieno(3,2-b)pyridine-6-carboxamidePUMOSETRAGUMRefChem:585229DTXCID3087702N-((3R)-1-azabicyclo(2.2.2)octan-3-yl)-7-oxo-4H,7H-thieno(3,2-b)pyridine-6-carboxamidePumosetrag [INN]
Show more names
CHEMBL1643880DDP 733UNII-1G26B32139(R)-N-(3-Quinuclidinyl)-7-oxo-dihydrothieno(3,2b)pyridine-6-carboxamide hydrochlorideN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamideSCHEMBL390615DDP733orb2814755
Database identifiers
- CAS
1055328-70-5、153062-94-3- PubChem CID
- 154104
- DTXSID
DTXSID70165211- ChEMBL
CHEMBL1643880- UNII
- 1G26B32139
- Nikkaji
- J1.647.209C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 499
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Chemistry & industry
Pharmacology
Mechanism of ActionDDP733 is an agonist of 5-HT3 receptors, a specific sub-type of serotonin receptor. Serotonin, a neurotransmitter, is believed to play an important role in the regulation of gastrointestinal motility.
Related reactions
0 records
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Compound notes
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