Detailed information for compound 173557

Basic information

Technical information
  • TDR Targets ID: 173557
  • Name: 7-hydroxy-2-oxochromene-3-carboxylic acid
  • MW: 206.152 | Formula: C10H6O5
  • H donors: 2 H acceptors: 4 LogP: 1.84 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)oc(=O)c(c2)C(=O)O
  • InChi: 1S/C10H6O5/c11-6-2-1-5-3-7(9(12)13)10(14)15-8(5)4-6/h1-4,11H,(H,12,13)
  • InChiKey: LKLWLDOUZJEHDY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-hydroxy-2-oxo-chromene-3-carboxylic acid
  • 7-hydroxy-2-oxo-1-benzopyran-3-carboxylic acid
  • 7-hydroxy-2-keto-chromene-3-carboxylic acid
  • 7-hydroxycoumarin-3-carboxylic acid
  • 7-hydroxy-2-oxo-3-chromenecarboxylic acid
  • 5185-18-2
  • 779-27-1
  • Oprea1_130366
  • ST5320040
  • Oprea1_196511
  • nchembio.2007.28-comp28
  • CBMicro_006719
  • 2H-1-Benzopyran-3-carboxylic acid, 7-hydroxy-2-oxo-
  • NSC115545
  • BIM-0006588.P001
  • 55155_FLUKA
  • Umbelliferone-3-carboxylic acid
  • 7-Hydroxy-2-oxo-2H-1-benzopyran-3-carboxylic acid

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0905 0.6182 1
Loa Loa (eye worm) hypothetical protein 0.0905 0.6182 0.5366
Leishmania major polypeptide deformylase-like protein, putative 0.0172 0 0.5
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0905 0.6182 1
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0905 0.6182 0.5206
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0172 0 0.5
Mycobacterium ulcerans peptide deformylase 0.0451 0.2354 0.5
Toxoplasma gondii hypothetical protein 0.0451 0.2354 0.5
Schistosoma mansoni inhibitor of apoptosis protein 0.0905 0.6182 1
Echinococcus granulosus inhibitor of apoptosis protein 0.0905 0.6182 0.5206
Chlamydia trachomatis peptide deformylase 0.0451 0.2354 0.5
Loa Loa (eye worm) hypothetical protein 0.1329 0.9763 1
Onchocerca volvulus Deterin homolog 0.0905 0.6182 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0172 0 0.5
Echinococcus multilocularis smoothened 0.1358 1 1
Onchocerca volvulus 0.0905 0.6182 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0172 0 0.5
Treponema pallidum polypeptide deformylase (def) 0.0451 0.2354 0.5
Trypanosoma brucei Polypeptide deformylase 1 0.0172 0 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0451 0.2354 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0451 0.2354 0.5
Schistosoma mansoni hypothetical protein 0.0905 0.6182 1
Loa Loa (eye worm) hypothetical protein 0.0905 0.6182 0.5366
Trypanosoma cruzi Peptide deformylase 2, putative 0.0172 0 0.5
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0905 0.6182 0.5206
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0451 0.2354 0.5
Plasmodium falciparum peptide deformylase 0.0451 0.2354 0.5
Trypanosoma brucei Peptide deformylase 2 0.0172 0 0.5
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0905 0.6182 1
Echinococcus multilocularis inhibitor of apoptosis protein 0.0905 0.6182 0.5206
Plasmodium vivax peptide deformylase, putative 0.0451 0.2354 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 0.01 nmol/min Activity at Streptomyces antibioticus wild-type OleD assessed as as rate of glucoside formation measured as nanomoles of product formed per minute per mg of enzyme ChEMBL. 17828251
Activity (binding) = 0.01 nmol/min Activity of Streptomyces antibioticus OleD A242V mutant assessed as as rate of glucoside formation measured as nanomoles of product formed per minute per mg of enzyme ChEMBL. 17828251
Activity (binding) = 0.022 nmol/min Activity of Streptomyces antibioticus OleD P67T mutant assessed as as rate of glucoside formation measured as nanomoles of product formed per minute per mg of enzyme ChEMBL. 17828251
Activity (binding) = 0.022 nmol/min Activity of Streptomyces antibioticus OleD S123F mutant assessed as as rate of glucoside formation measured as nanomoles of product formed per minute per mg of enzyme ChEMBL. 17828251
Activity (binding) = 0.62 nmol/min Activity of Streptomyces antibioticus OleD P67T/S132F/A242V mutant assessed as as rate of glucoside formation measured as nanomoles of product formed per minute per mg of enzyme ChEMBL. 17828251
IC50 (functional) > 200 uM Cytotoxicity against human HepG2 cells by MTT assay ChEMBL. 25304898
pKa (ADMET) = 7.5 Photostability, pKa of the compound was evaluated ChEMBL. 9873685
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
TGI (functional) = 34.2 % Antitumor activity against mouse S180 cells allografted in mouse assessed as tumor growth inhibition at 1 umol/kg, ip for 7 consecutive days ChEMBL. 25304898

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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