Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D05ZCX
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| Former ID |
DNC007856
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| Drug Name |
Thieno[3,2-e][1]benzothiophene-4,5-dione
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| Synonyms |
Benzo[1,2-b:4,3-b']dithiophene-4,5-dione; 24243-31-0; CHEMBL398109; 4,5-Dihydrobenzo[1,2-b:4,3-b']dithiophene-4,5-dione
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C10H4O2S2
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| Canonical SMILES |
C1=CSC2=C1C3=C(C(=O)C2=O)SC=C3
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| InChI |
1S/C10H4O2S2/c11-7-8(12)10-6(2-4-14-10)5-1-3-13-9(5)7/h1-4H
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| InChIKey |
MOUQKENTDKBOQJ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Liver carboxylesterase (CES1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Drug metabolism - other enzymes | |||
| Metabolic pathways | ||||
| Pathway Interaction Database | E2F transcription factor network | |||
| WikiPathways | NRF2 pathway | |||
| Nuclear Receptors Meta-Pathway | ||||
| Heroin metabolism | ||||
| Irinotecan Pathway | ||||
| Fluoropyrimidine Activity | ||||
| Phase I biotransformations, non P450 | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. J Med Chem. 2007 Nov 15;50(23):5727-34. | |||
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