5-hydroxydiclofenac: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
5-hydroxydiclofenac : A monocarboxylic acid that is the 5-hydroxylated metabolite of diclofenac. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]
| ID Source | ID |
|---|---|
| PubMed CID | 3052566 |
| CHEMBL ID | 1031 |
| CHEBI ID | 59612 |
| SCHEMBL ID | 2738864 |
| MeSH ID | M0302004 |
| Synonym |
|---|
| CHEMBL1031 |
| 5-hydroxy-diclofenac |
| 5-hydroxydiclofenac |
| acetic acid, (2-(2,6-dichloroanilino)-5-hydroxyphenyl)- |
| benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-5-hydroxy- |
| brn 4199419 |
| (2-(2,6-dichloroanilino)-5-hydroxyphenyl)acetic acid |
| CHEBI:59612 , |
| 5-oh-dcf |
| 69002-84-2 |
| 5-oh dcf |
| 2-[(2,6-dichloroanilino)-5-hydroxyphenyl]acetic acid |
| 5-hydroxy diclofenac |
| {2-[(2,6-dichlorophenyl)amino]-5-hydroxyphenyl}acetic acid |
| 2-[2-(2,6-dichloroanilino)-5-hydroxyphenyl]acetic acid |
| 2-[(2,6-dichlorophenyl)amino]-5-hydroxy-benzeneacetic acid |
| FT-0669357 |
| A836304 |
| 2-[2-[[2,6-bis(chloranyl)phenyl]amino]-5-oxidanyl-phenyl]ethanoic acid |
| unii-gs38436703 |
| (2-((2,6-dichlorophenyl)amino)-5-hydroxyphenyl)acetic acid |
| gs38436703 , |
| benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-5-hydroxy- |
| EPITOPE ID:131807 |
| DTXSID00219059 |
| SCHEMBL2738864 |
| 2-[(2,6-dichlorophenyl)amino]-5-hydroxy benzene acetic acid |
| VNQURRWYKFZKJZ-UHFFFAOYSA-N |
| 17-iodoheptadecanoicacid |
| c14h11cl2no3 |
| hydroxydiclofenac, 5- |
| 2-(2-((2,6-dichlorophenyl)amino)-5-hydroxyphenyl)acetic acid |
| 2-[(2,6-dichlorophenyl)amino]-5-hydroxy benzeneacetic acid |
| AKOS028111700 |
| 7zv , |
| 5-hydroxydiclofenac, analytical standard |
| benzeneacetic acid,2-[(2,6-dichlorophenyl)amino]-5-hydroxy- |
| mfcd01672033 |
| 2-[(2,6-dichlorophenyl)amino]-5-hydroxybenzeneacetic acid |
| BS-17449 |
| Q27126805 |
| 2-[(2,6-dichlorophenyl)amino]-5-hydroxyphenylacetic acid |
| AMY15076 |
| bdbm50228744 |
| GLXC-25671 |
| CS-0086873 |
| PD064858 |
| 2-(2-((2,6-dichlorophenyl)amino)-5-hydroxyphenyl)aceticacid |
| Excerpt | Reference | Relevance |
|---|---|---|
| " This pharmacokinetic profile renders diclofenac suppository a suitable formulation for short duration surgery." | ( Diclofenac and metabolite pharmacokinetics in children. Anderson, BJ; Jacqz-Aigrain, E; Rømsing, J; Tibboel, D; van der Marel, CD, 2004) | 0.32 |
| Role | Description |
|---|---|
| drug metabolite | null |
| allergen | A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. |
| [role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Class | Description |
|---|---|
| dichlorobenzene | Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions. |
| monocarboxylic acid | An oxoacid containing a single carboxy group. |
| phenols | Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring. |
| secondary amino compound | A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Pathway | Proteins | Compounds |
|---|---|---|
| Diclofenac Pathway, Pharmacokinetics | 19 | 6 |
| Diclofenac metabolic pathway | 5 | 6 |
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit alpha | Rattus norvegicus (Norway rat) | Ki | 0.5103 | 0.0220 | 1.4740 | 5.1000 | AID1848977; AID1848978; AID1848979; AID1909902 |
| Calcium/calmodulin-dependent protein kinase type II subunit alpha | Homo sapiens (human) | IC50 (µMol) | 1.8100 | 0.0000 | 1.6395 | 10.0000 | AID1848991 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID23265 | Partition coefficient (logD7.4) | 1990 | Journal of medicinal chemistry, Sep, Volume: 33, Issue:9 | Synthesis and quantitative structure-activity relationships of diclofenac analogues. |
| AID25584 | Dissociation constant (pKa) | 1990 | Journal of medicinal chemistry, Sep, Volume: 33, Issue:9 | Synthesis and quantitative structure-activity relationships of diclofenac analogues. |
| AID194137 | Inhibition of inflammatory hind paw edema, induced by Mycobacterium butyricum in rats; ED40 in umol/kg po | 1990 | Journal of medicinal chemistry, Sep, Volume: 33, Issue:9 | Synthesis and quantitative structure-activity relationships of diclofenac analogues. |
| AID1848979 | Displacement of [3H]HOCPCA from recombinant rat CaMK2alpha expressed in HEK293T cells measured after 1 hr by liquid scintillation counting method | |||
| AID1848991 | Binding affinity to recombinant human CaMK2alpha 6x hub domain (345 to 475 residues) Trp403 residue assessed as inhibition of intrinsic tryptophan fluorescence by Trp flip assay | |||
| AID1848977 | Displacement of [3H]NCS-382 from CaMK2alpha in rat brain cortical membrane homogenates measured after 1 hr by TopCount scintillation counting method | |||
| AID1909902 | Displacement of [3H]NCS-382 from CaMK2alpha in rat brain cerebral cortex membrane homogenates assessed as inhibition constant measured after 60 mins by TopCount scintillation counting method | |||
| AID1848978 | Displacement of [3H]HOCPCA from native CaMK2alpha in rat brain cortical membrane homogenates measured after 1 hr by TopCount scintillation counting method | |||
| AID160713 | In vitro inhibition of bovine prostaglandin G/H synthase, using bovine seminal vesicle microsomal preparations; IC50 in umol/L | 1990 | Journal of medicinal chemistry, Sep, Volume: 33, Issue:9 | Synthesis and quantitative structure-activity relationships of diclofenac analogues. |
| AID1909919 | Glutathione reactivity of the compound assessed as GSH-adduct formation at 0.5 mg/ml measured after 5 mins in absence of CYP enzymes and NADPH by HPLC based LC-MS analysis | |||
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 2 (13.33) | 18.2507 |
| 2000's | 3 (20.00) | 29.6817 |
| 2010's | 6 (40.00) | 24.3611 |
| 2020's | 4 (26.67) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.
| This Compound (17.21) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 15 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||