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

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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