Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C15H17N3O2S |
Molecular Weight | 303.379 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O=C(N[C@H]1CN2CCC1CC2)C3=CNC4=C(SC=C4)C3=O
InChI
InChIKey=AFUWQWYPPZFWCO-LBPRGKRZSA-N
InChI=1S/C15H17N3O2S/c19-13-10(7-16-11-3-6-21-14(11)13)15(20)17-12-8-18-4-1-9(12)2-5-18/h3,6-7,9,12H,1-2,4-5,8H2,(H,16,19)(H,17,20)/t12-/m0/s1
Molecular Formula | C15H17N3O2S |
Molecular Weight | 303.379 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Pumosetrag is a novel, orally active and selective 5-HT 3 agonist. It is a partial agonist in rats and guinea-pig and a full agonist in the mouse, suggesting important species differences in 5-HT3 receptor structure. Pumosetrag had been in phase II clinical trials for the treatment of gastroesophageal reflux disease and irritable bowel syndrome. No serious adverse events were reported. Diarrhea was not more common on the drug and only one subject experienced pruritus. All researches on this drug candidate are discontinued.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL1899 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14616171 |
0.8 nM [Ki] | ||
Target ID: 483776.0 Gene Symbol: CHRM1 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14616171 |
7.7 µM [Ki] | ||
Target ID: 403858.0 Gene Symbol: CHRM2 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14616171 |
3.3 µM [Ki] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
Overview
CYP3A4 | CYP2C9 | CYP2D6 | hERG |
---|---|---|---|
OverviewOther
Other Inhibitor | Other Substrate | Other Inducer |
---|---|---|
Drug as perpetrator
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
inconclusive [IC50 >10 uM] | ||||
inconclusive [IC50 >10 uM] | ||||
inconclusive [IC50 >10 uM] | ||||
inconclusive [IC50 >10 uM] | ||||
inconclusive [IC50 >10 uM] | ||||
yes [IC50 9.3 uM] |
PubMed
Title | Date | PubMed |
---|---|---|
Effect of MKC-733, a 5-HT receptor partial agonist, on bowel motility and symptoms in subjects with constipation: an exploratory study. | 2005 Dec |
|
Inotropic effects of prokinetic agents with 5-HT(4) receptor agonist actions on human isolated myocardial trabeculae. | 2012 Apr 9 |
Patents
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24001105
0.2, 0.5, or 0.8 mg
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17952012
In the presence of methysergide (1 mol/l) and GR125487 (0.1 mol/l), MKC-733 appeared to have little to no contractile effect in the jejunum (E max = 11.85 %), ileum (E max = 9.65 %) and distal colon of the rat (E max = 14.30 %).
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:28:21 GMT 2023
by
admin
on
Fri Dec 15 16:28:21 GMT 2023
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Record UNII |
1G26B32139
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Record Status |
Validated (UNII)
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Record Version |
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-
Download
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Official Name | English | ||
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Systematic Name | English | ||
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Systematic Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C47794
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C84126
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DTXSID70165211
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8217
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300000036978
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153062-94-3
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1G26B32139
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CHEMBL1643880
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154104
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C482040
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DB12402
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PRIMARY |
Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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ACTIVE MOIETY |