Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0ZL6B
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| Former ID |
DNC007187
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| Drug Name |
1-hexadecyl-1H-indole-2,3-dione
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| Synonyms |
1-hexadecyl-1H-indole-2,3-dione; C24H37NO2; 1-hexadecylindole-2,3-dione; AC1MXWVN; Isatin-based compound, 63; CHEMBL221512; BDBM22843; MolPort-000-704-286; STK527744; ZINC14979621; AKOS005460820; MCULE-4252873887; 28035-35-0
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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 |
C24H37NO2
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| Canonical SMILES |
CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(=O)C1=O
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| InChI |
1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-22-19-16-15-18-21(22)23(26)24(25)27/h15-16,18-19H,2-14,17,20H2,1H3
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| InChIKey |
JLUGWHXZCKLPBY-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 | Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. J Med Chem. 2007 Apr 19;50(8):1876-85. | |||
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