Detailed information for compound 1313359

Basic information

Technical information
  • TDR Targets ID: 1313359
  • Name: 1-oxo-3-phenylisochromene-8-carboxylic acid
  • MW: 266.248 | Formula: C16H10O4
  • H donors: 1 H acceptors: 3 LogP: 3.07 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cccc2c1c(=O)oc(c2)c1ccccc1
  • InChi: 1S/C16H10O4/c17-15(18)12-8-4-7-11-9-13(20-16(19)14(11)12)10-5-2-1-3-6-10/h1-9H,(H,17,18)
  • InChiKey: WTBOFOCSCFJHDA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-oxo-3-phenyl-isochromene-8-carboxylic acid
  • 1-oxo-3-phenyl-8-isochromenecarboxylic acid
  • 1-keto-3-phenyl-isochromene-8-carboxylic acid
  • STOCK1N-07293

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
Leishmania major cysteine peptidase A (CPA) 0.006 0.226 0.1871
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.226 0.2361
Plasmodium vivax proteasome subunit beta type-2, putative 0.0038 0.0479 0.0501
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.226 0.2361
Onchocerca volvulus 0.006 0.226 1
Leishmania major cathepsin L-like protease 0.0152 1 1
Giardia lamblia Cathepsin B precursor 0.0056 0.1979 0.165
Echinococcus granulosus cathepsin l1 0.0041 0.0719 0.0731
Trypanosoma cruzi cysteine peptidase, putative 0.0152 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.226 0.2361
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.006 0.226 0.2361
Plasmodium falciparum proteasome subunit beta type-5 0.0147 0.9573 1
Loa Loa (eye worm) fibroinase 0.006 0.226 0.1902
Onchocerca volvulus 0.006 0.226 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0056 0.1979 0.2068
Loa Loa (eye worm) hypothetical protein 0.006 0.226 0.1902
Toxoplasma gondii cathepsin B 0.0056 0.1979 0.165
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.006 0.226 0.2361
Brugia malayi Cathepsin L-like precursor 0.006 0.226 0.2297
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0152 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.015 0.9842 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0152 1 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.006 0.226 0.2297
Schistosoma mansoni cathepsin F (C01 family) 0.006 0.226 0.2297
Brugia malayi Cathepsin L-like precursor 0.006 0.226 0.2297
Onchocerca volvulus Cathepsin F homolog 0.006 0.226 1
Entamoeba histolytica cysteine proteinase, putative 0.006 0.226 0.2361
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0147 0.9573 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0147 0.9573 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0106 0.6198 0.6198
Echinococcus granulosus cathepsin l cysteine peptidase 0.006 0.226 0.2297
Onchocerca volvulus Cathepsin L homolog 0.006 0.226 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.006 0.226 0.2361
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0038 0.0479 0.0501
Entamoeba histolytica cysteine protease, putative 0.006 0.226 0.2361
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0056 0.1979 0.2011
Onchocerca volvulus 0.006 0.226 1
Brugia malayi Proteasome A-type and B-type family protein 0.0147 0.9573 0.9727
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0147 0.9573 1
Onchocerca volvulus 0.006 0.226 1
Brugia malayi proteasome subunit beta type 2 0.0038 0.0479 0.0487
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0038 0.0479 0.0501
Mycobacterium ulcerans proteasome PrcB 0.0147 0.9573 0.5
Loa Loa (eye worm) ctsf protein 0.006 0.226 0.1902
Schistosoma mansoni cathepsin F (C01 family) 0.006 0.226 0.2297
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.226 0.2361
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.015 0.9842 1
Echinococcus granulosus cathepsin l1 0.006 0.226 0.2297
Loa Loa (eye worm) hypothetical protein 0.0041 0.0719 0.0256
Echinococcus multilocularis proteasome (prosome, macropain) 0.0147 0.9573 0.9727
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.226 0.2361
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.006 0.226 0.1902
Leishmania major proteasome beta 5 subunit, putative 0.0147 0.9573 0.9551
Plasmodium falciparum cysteine proteinase falcipain 2b 0.006 0.226 0.2361
Schistosoma mansoni cathepsin F (C01 family) 0.0041 0.0719 0.0731
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0038 0.0479 0.0487
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0152 1 1
Echinococcus multilocularis cathepsin b 0.015 0.9842 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.226 0.2361
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0147 0.9573 0.9573
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0038 0.0479 0.0479
Plasmodium vivax proteasome subunit beta type-5, putative 0.0147 0.9573 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0152 1 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0147 0.9573 0.9573
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.226 0.2361
Brugia malayi cathepsin L-like precursor 0.0041 0.0719 0.0731
Plasmodium vivax vivapain-2 0.006 0.226 0.2361
Trypanosoma cruzi cysteine peptidase, putative 0.006 0.226 0.226
Echinococcus granulosus cathepsin b 0.015 0.9842 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0056 0.1979 0.1576
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0147 0.9573 0.9573
Brugia malayi Cathepsin L-like precursor 0.006 0.226 0.2297
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0056 0.1979 0.1979
Leishmania major cathepsin L-like protease 0.006 0.226 0.1871
Echinococcus multilocularis cathepsin l cysteine peptidase 0.006 0.226 0.2297
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.226 0.2361
Onchocerca volvulus Cathepsin L homolog 0.006 0.226 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0038 0.0479 0.0501
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0147 0.9573 1
Echinococcus multilocularis cathepsin L cysteine protease 0.006 0.226 0.2297
Brugia malayi Cathepsin L-like precursor 0.0041 0.0719 0.0731
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0147 0.9573 0.9713
Echinococcus multilocularis cysteine protease 0.006 0.226 0.2297
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0038 0.0479 0.0487
Loa Loa (eye worm) hypothetical protein 0.0041 0.0719 0.0256
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.226 0.2361
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.226 0.2361
Brugia malayi Cathepsin L-like precursor 0.006 0.226 0.2297
Loa Loa (eye worm) hypothetical protein 0.0041 0.0719 0.0256
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.015 0.9842 0.9842
Brugia malayi Cathepsin L-like precursor 0.006 0.226 0.2297
Toxoplasma gondii cathepsin CPL 0.006 0.226 0.1959
Echinococcus multilocularis cathepsin b 0.015 0.9842 1
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0038 0.0479 0.0501
Trypanosoma brucei cysteine peptidase C (CPC) 0.0056 0.1979 0.1979
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.226 0.2361
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.015 0.9842 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.226 0.2361
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0147 0.9573 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.226 0.2361
Onchocerca volvulus 0.006 0.226 1
Onchocerca volvulus 0.006 0.226 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0719 0.0751
Giardia lamblia Cathepsin B precursor 0.0056 0.1979 0.165
Leishmania major cathepsin L-like protease 0.006 0.226 0.1871
Echinococcus multilocularis cysteine protease 0.006 0.226 0.2297
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0152 1 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0147 0.9573 0.9727
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0152 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0152 1 1
Entamoeba histolytica cysteine proteinase, putative 0.006 0.226 0.2361
Leishmania major cathepsin L-like protease 0.006 0.226 0.1871
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.226 0.2361
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0152 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.226 0.2361
Giardia lamblia Cathepsin B precursor 0.0056 0.1979 0.165
Trypanosoma cruzi 20S proteasome subunit 0.0038 0.0479 0.0479
Brugia malayi Cathepsin L-like precursor 0.006 0.226 0.2297
Loa Loa (eye worm) cathepsin B 0.0056 0.1979 0.1602
Leishmania major cathepsin L-like protease 0.006 0.226 0.1871
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0152 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0041 0.0719 0.0731
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.226 0.2361
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0038 0.0479 0.0479
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.015 0.9842 1
Trypanosoma cruzi cysteine peptidase, putative 0.0152 1 1
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0038 0.0479 0.0487
Echinococcus granulosus proteasome prosome macropain 0.0147 0.9573 0.9727
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.226 0.2361
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.226 0.2361
Leishmania major cathepsin L-like protease 0.006 0.226 0.1871
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.226 0.2361
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0719 0.0751
Brugia malayi Papain family cysteine protease containing protein 0.006 0.226 0.2297
Echinococcus granulosus cathepsin b 0.015 0.9842 1
Plasmodium vivax vivapain-2 0.006 0.226 0.2361
Plasmodium falciparum cysteine proteinase falcipain 3 0.006 0.226 0.2361
Brugia malayi Cathepsin L-like precursor 0.0041 0.0719 0.0731
Leishmania major cathepsin L-like protease 0.0152 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0152 1 1
Brugia malayi cathepsin B-like cysteine proteinase 0.015 0.9842 1
Loa Loa (eye worm) cysteine protease 0.006 0.226 0.1902
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0152 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.226 0.2361
Echinococcus multilocularis cathepsin l cysteine peptidase 0.006 0.226 0.2297
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0147 0.9573 0.5
Onchocerca volvulus 0.006 0.226 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.226 0.2361
Entamoeba histolytica cysteine proteinase, putative 0.0041 0.0719 0.0751
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0133 0.8459 0.8459
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.226 0.2361
Loa Loa (eye worm) papain family cysteine protease containing protein 0.006 0.226 0.1902
Echinococcus multilocularis cathepsin L cysteine protease 0.006 0.226 0.2297
Trypanosoma cruzi cysteine peptidase, putative 0.0152 1 1
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0038 0.0479 0.0487
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.226 0.2361
Trypanosoma cruzi cruzipain precursor, putative 0.0152 1 1
Loa Loa (eye worm) hypothetical protein 0.015 0.9842 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 58.4789 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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