Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0JH7C
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| Former ID |
DNC007857
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| Drug Name |
1,10-phenanthroline-5,6-dione
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| Synonyms |
1,10-Phenanthroline-5,6-dione; 27318-90-7; [1,10]Phenanthroline-5,6-dione; UNII-8JD7KXA2W0; 8JD7KXA2W0; MLS003171048; KCALAFIVPCAXJI-UHFFFAOYSA-N; 1 10-Phenanthroline-5 6-Dione 97; AK-27690; J-400086; pyridino[3,2-h]quinoline-5,6-dione; 1,10-Phenanthroline-5,6-dione, 98%; Phen-5,6-dione; 1,10-Pad; NSC346882; NSC 346882; PubChem16755; ACMC-209gwd; AC1L2IPW; PHOX31; KSC204S8L; cid_72810; SCHEMBL460433; CHEMBL235504; AC1Q6N66; KS-00000LQX; CTK1A4985; BDBM22860; DTXSID60181763; MolPort-002-720-727; 1,2-Dione-Based Compound, 17; ZX-AT019110
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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 |
C12H6N2O2
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| Canonical SMILES |
C1=CC2=C(C3=C(C=CC=N3)C(=O)C2=O)N=C1
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| InChI |
1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H
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| InChIKey |
KCALAFIVPCAXJI-UHFFFAOYSA-N
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| CAS Number |
CAS 27318-90-7
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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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