基本情報
- CAS
1055328-70-5- 標準SMILES
O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2ccsc2c1=O- InChIKey
AFUWQWYPPZFWCO-LBPRGKRZSA-N- 分子式
- C15H17N3O2S
- 平均分子量
- 303.4 g/mol
- 単同位体質量
- 303.10414797
概要
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).
名称と識別子
- 優先名称
- Pumosetrag
- IUPAC
- N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
名称と別名
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]
名称をさらに表示
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
データベース識別子
- CAS
1055328-70-5、153062-94-3- PubChem CID
- 154104
- DTXSID
DTXSID70165211- ChEMBL
CHEMBL1643880- UNII
- 1G26B32139
- Nikkaji
- J1.647.209C
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 89.7 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 2
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 499
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
化学と産業
薬理情報
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.
関連反応
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化合物ノート
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