Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09AYR
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| Former ID |
DNC003474
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| Drug Name |
3,5-Dinitrocatechol
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| Synonyms |
3,5-dinitrocatechol; 3,5-dinitrobenzene-1,2-diol; 7659-29-2; 3,5-Dinitro-1,2-benzenediol; OR-486; 3,5-Dinitropyrocatechol; OR486; UNII-VK0VA22GY2; Pyrocatechol, 3,5-dinitro-; 1,2-Benzenediol, 3,5-dinitro-; BRN 2217246; VK0VA22GY2; 3,5-DINITROCATECHOL (OR-486); CHEMBL168276; 3,5-DINITRO-BENZENE-1,2-DIOL; DNC; SR-01000075610; OR 486; Ro 12812; Ro 01-2812; Tocris-0483; Spectrum_000187; Lopac-D-131; AC1MZC4M; Spectrum4_000747; Spectrum2_001109; Spectrum5_001163; Entacapone EP Impurity E; 3,5-Dinitrocatechol, solid; Lopac0_000477
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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 |
C6H4N2O6
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| Canonical SMILES |
C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-]
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| InChI |
1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H
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| InChIKey |
VDCDWNDTNSWDFJ-UHFFFAOYSA-N
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| CAS Number |
CAS 7659-29-2
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| PubChem Compound ID | ||||
| PubChem Substance ID |
3288986, 5656640, 7887114, 8150015, 9995719, 11111032, 11113526, 11335242, 11360481, 11363081, 11365643, 11368205, 11374213, 11376367, 11461453, 11484954, 11488925, 11492562, 11494001, 15092170, 17405040, 24278158, 26612504, 26679507, 26712257, 26747113, 41950019, 46507481, 48034943, 48184833, 48259055, 49746560, 49746563, 49879920, 50104432, 50104433, 53777583, 53787185, 56463318, 57356617, 58021763, 79675931, 85085622, 85230992, 88565526, 90341310, 92303738, 99301155, 99309283, 103424770
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Catechol-O-methyl-transferase (COMT) | Target Info | Inhibitor | [1] |
| BioCyc | L-dopa degradation | |||
| Dopamine degradation | ||||
| Noradrenaline and adrenaline degradation | ||||
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Tyrosine metabolism | ||||
| Metabolic pathways | ||||
| Dopaminergic synapse | ||||
| Panther Pathway | Adrenaline and noradrenaline biosynthesis | |||
| Dopamine receptor mediated signaling pathway | ||||
| Pathwhiz Pathway | Tyrosine Metabolism | |||
| WikiPathways | Methylation Pathways | |||
| Metapathway biotransformation | ||||
| Estrogen metabolism | ||||
| Biogenic Amine Synthesis | ||||
| Dopamine metabolism | ||||
| Phase II conjugation | ||||
| Neurotransmitter Clearance In The Synaptic Cleft | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
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