Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0K6PO
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| Former ID |
DNC007858
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| Drug Name |
Acenanthrene-9,10-dione
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| Synonyms |
1,2-Aceanthrylenedione; Aceanthrenequinone; 6373-11-1; 1,2-Aceanthrenedione; aceanthrylene-1,2-dione; acenanthrene-9,10-dione; Aceanthrenchinon; NSC245130; AC1L7ULB; Aceanthrenequinone, 96%; ACMC-20ap73; SCHEMBL579274; CHEMBL235503; CTK2F3554; BDBM22859; DTXSID90311753; YAIBDWAANBTYIA-UHFFFAOYSA-N; MolPort-002-800-851; 1,2-Dione-Based Compound, 16; 1,2-dihydroaceanthrylene-1,2-dione; MFCD00035767; AKOS015902885; NSC-245130; MCULE-7113625880; VZ20381; CJ-29850; CC-02809; KB-64253; TC-172326; DB-054531; ST50825822; AE-641/00376058; 373A111
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C16H8O2
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| Canonical SMILES |
C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)C4=O
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| InChI |
1S/C16H8O2/c17-15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(13(10)12)16(15)18/h1-8H
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| InChIKey |
YAIBDWAANBTYIA-UHFFFAOYSA-N
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| CAS Number |
CAS 6373-11-1
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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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