Detailed information for compound 1227821

Basic information

Technical information
  • TDR Targets ID: 1227821
  • Name: 7-hydroxy-3-(4-methoxyphenyl)-7-methylisochro mene-6,8-dione
  • MW: 298.29 | Formula: C17H14O5
  • H donors: 1 H acceptors: 3 LogP: 1.37 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1=CC2=CC(=O)C(C(=O)C2=CO1)(C)O
  • InChi: 1S/C17H14O5/c1-17(20)15(18)8-11-7-14(22-9-13(11)16(17)19)10-3-5-12(21-2)6-4-10/h3-9,20H,1-2H3
  • InChiKey: BTXIJBYTUHGAQY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-hydroxy-3-(4-methoxyphenyl)-7-methyl-isochromene-6,8-dione
  • 7-hydroxy-3-(4-methoxyphenyl)-7-methyl-isochromene-6,8-quinone

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
Treponema pallidum NADH oxidase 0.0019 0.0147 0.5
Trichomonas vaginalis set domain proteins, putative 0.0558 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0086 0.0098
Mycobacterium tuberculosis Conserved protein 0.0035 0.0438 0.0769
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0438 0.0769
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0086 0.1362 1
Echinococcus multilocularis dnaJ subfamily B 0.0402 0.7142 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0725 0.0827
Loa Loa (eye worm) hypothetical protein 0.0088 0.1406 0.1605
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0438 0.0498
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0139 0.2334 0.3185
Trypanosoma brucei ISWI complex protein 0.0035 0.0435 0.2367
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0147 0.0086
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0429 0.0433
Loa Loa (eye worm) inositol-1 0.0086 0.1362 0.1555
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0438 0.0769
Trypanosoma cruzi trypanothione reductase, putative 0.0056 0.0819 0.553
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0071 0.1087 0.1418
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0438 0.0613
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0147 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.3925 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0039 0.0508 0.0712
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0725 0.0772
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0077 0.1198 0.3876
Brugia malayi beta-lactamase family protein 0.0035 0.0438 0.0442
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0086 0.1362 1
Schistosoma mansoni cpg binding protein 0.0034 0.0416 0.0583
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.011 0.1805 0.2527
Loa Loa (eye worm) beta-lactamase 0.0035 0.0438 0.0499
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0128 0.2137 0.8665
Brugia malayi Pre-SET motif family protein 0.049 0.8762 1
Mycobacterium tuberculosis Probable reductase 0.0128 0.2137 0.5267
Mycobacterium ulcerans beta-lactamase 0.0035 0.0438 0.2392
Echinococcus multilocularis survival motor neuron protein 1 0.0275 0.4828 0.672
Mycobacterium tuberculosis Probable oxidoreductase 0.0142 0.2398 0.596
Loa Loa (eye worm) hypothetical protein 0.0035 0.0429 0.049
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0077 0.1198 0.2781
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0086 0.1362 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0438 0.0498
Schistosoma mansoni bromodomain containing protein 0.0147 0.2484 0.3479
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0086 0.1362 1
Onchocerca volvulus 0.0056 0.0818 0.0527
Echinococcus granulosus inositol monophosphatase 1 0.0086 0.1362 0.1809
Trichomonas vaginalis inositol monophosphatase, putative 0.0086 0.1362 0.1233
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0725 0.0772
Schistosoma mansoni cpg binding protein 0.0034 0.0416 0.0583
Loa Loa (eye worm) hypothetical protein 0.0035 0.0438 0.0499
Onchocerca volvulus 0.0035 0.0438 0.0135
Brugia malayi glutathione reductase 0.0056 0.0819 0.088
Schistosoma mansoni hypothetical protein 0.0035 0.0435 0.0609
Mycobacterium tuberculosis Probable dehydrogenase 0.0128 0.2137 0.5267
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0142 0.2398 0.596
Plasmodium vivax glutathione reductase, putative 0.0056 0.0819 0.715
Brugia malayi beta-lactamase 0.0035 0.0438 0.0442
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0039 0.0508 0.0599
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0915 0.6323
Echinococcus multilocularis thioredoxin glutathione reductase 0.0056 0.0819 0.1039
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0068 0.1028 0.1335
Echinococcus granulosus dnaJ subfamily B 0.0402 0.7142 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0438 0.0613
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0071 0.1087 0.7735
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0438 0.0295
Loa Loa (eye worm) hypothetical protein 0.0163 0.2768 0.3159
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0438 0.0295
Plasmodium vivax thioredoxin reductase, putative 0.0056 0.0819 0.715
Loa Loa (eye worm) PHD-finger family protein 0.0047 0.0659 0.0752
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0438 0.0295
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.011 0.1805 0.2436
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0147 0.0206
Mycobacterium ulcerans lipase LipD 0.0035 0.0438 0.2392
Brugia malayi CXXC zinc finger family protein 0.0028 0.0307 0.0292
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0142 0.2398 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0086 0.0039
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0147 0.0109
Schistosoma mansoni transcription factor LCR-F1 0.0085 0.1339 0.1875
Schistosoma mansoni zinc finger protein 0.0047 0.0644 0.0902
Loa Loa (eye worm) hypothetical protein 0.0275 0.4828 0.551
Schistosoma mansoni hypothetical protein 0.0035 0.0429 0.0601
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0083 0.1303 0.1725
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0086 0.1362 1
Schistosoma mansoni hypothetical protein 0.0016 0.0086 0.0121
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0438 0.0295
Brugia malayi beta-lactamase family protein 0.0035 0.0438 0.0442
Echinococcus granulosus fetal alzheimer antigen falz 0.0053 0.0769 0.0968
Onchocerca volvulus 0.0071 0.1087 0.0805
Plasmodium vivax SET domain protein, putative 0.0071 0.1087 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0438 0.0769
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0438 0.2392
Brugia malayi hypothetical protein 0.0085 0.1339 0.1478
Brugia malayi follicle stimulating hormone receptor 0.0465 0.8304 0.9474
Echinococcus granulosus histone lysine methyltransferase setb 0.011 0.1805 0.2436
Brugia malayi Thioredoxin reductase 0.0056 0.0819 0.088
Onchocerca volvulus 0.0035 0.0438 0.0135
Trichomonas vaginalis esterase, putative 0.0035 0.0438 0.0295
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0438 0.2392
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0086 0.1362 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0142 0.2398 0.596
Schistosoma mansoni inositol monophosphatase 0.0086 0.1362 0.1907
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0086 0.1362 0.1233
Echinococcus multilocularis cpg binding protein 0.0034 0.0416 0.0468
Loa Loa (eye worm) hypothetical protein 0.0051 0.0725 0.0827
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0086 0.0039
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0128 0.2137 0.5267
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0071 0.1087 0.1522
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0147 0.5
Brugia malayi Bromodomain containing protein 0.0088 0.1403 0.1551
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0465 0.8304 0.9477
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0083 0.1303 0.1725
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0438 0.2392
Loa Loa (eye worm) hypothetical protein 0.0035 0.0438 0.0499
Loa Loa (eye worm) glutathione reductase 0.0056 0.0819 0.0935
Toxoplasma gondii thioredoxin reductase 0.0056 0.0819 0.553
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0053 0.0769 0.1077
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0086 0.1362 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0056 0.0819 0.1039
Brugia malayi Bromodomain containing protein 0.0174 0.2978 0.3359
Brugia malayi Pre-SET motif family protein 0.0071 0.1087 0.1188
Schistosoma mansoni survival motor neuron protein 0.0056 0.0818 0.1145
Echinococcus multilocularis zinc finger protein 0.0047 0.0644 0.0791
Schistosoma mansoni hypothetical protein 0.0085 0.1339 0.1875
Loa Loa (eye worm) hypothetical protein 0.0035 0.0438 0.0499
Schistosoma mansoni cpg binding protein 0.0028 0.0307 0.0429
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0128 0.2137 0.5267
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0071 0.1087 0.1522
Schistosoma mansoni inositol monophosphatase 0.0086 0.1362 0.1907
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0438 0.0769
Schistosoma mansoni zinc finger protein 0.0035 0.0435 0.0609
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0438 0.0769
Leishmania major hypothetical protein, conserved 0.0035 0.0438 0.2392
Onchocerca volvulus 0.0035 0.0438 0.0135
Loa Loa (eye worm) hypothetical protein 0.0094 0.1506 0.1718
Echinococcus granulosus survival motor neuron protein 1 0.0275 0.4828 0.672
Loa Loa (eye worm) hypothetical protein 0.0035 0.0438 0.0499
Loa Loa (eye worm) hypothetical protein 0.0016 0.0086 0.0098
Mycobacterium tuberculosis Conserved protein 0.0035 0.0438 0.0769
Brugia malayi Inositol-1 0.0086 0.1362 0.1504
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0933 0.1306
Loa Loa (eye worm) hypothetical protein 0.0035 0.0438 0.0499
Mycobacterium tuberculosis Conserved protein 0.0035 0.0438 0.0769
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0085 0.1339 0.1776
Trypanosoma cruzi ISWI complex protein 0.0035 0.0435 0.2367
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0307 0.035
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0139 0.2334 0.3185
Echinococcus granulosus zinc finger protein 0.0047 0.0644 0.0791
Toxoplasma gondii ABC1 family protein 0.0035 0.0438 0.2392
Schistosoma mansoni hypothetical protein 0.0047 0.0659 0.0923
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0438 0.2392
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.011 0.1805 0.2527
Echinococcus multilocularis inositol monophosphatase 1 0.0086 0.1362 0.1809
Plasmodium falciparum thioredoxin reductase 0.0056 0.0819 1
Plasmodium falciparum glutathione reductase 0.0056 0.0819 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0085 0.1339 0.1776
Mycobacterium ulcerans hypothetical protein 0.0035 0.0438 0.2392
Schistosoma mansoni hypothetical protein 0.0016 0.0086 0.0121
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0147 0.0086
Schistosoma mansoni hypothetical protein 0.0016 0.0086 0.0121
Leishmania major hypothetical protein, conserved 0.0035 0.0435 0.2367
Schistosoma mansoni hypothetical protein 0.0056 0.0818 0.1145
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0438 0.3092
Loa Loa (eye worm) hypothetical protein 0.011 0.1805 0.206
Trypanosoma brucei trypanothione reductase 0.0056 0.0819 0.553
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0438 0.0499
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0438 0.2392
Loa Loa (eye worm) thioredoxin reductase 0.0056 0.0819 0.0935
Leishmania major trypanothione reductase 0.0056 0.0819 0.553
Schistosoma mansoni hypothetical protein 0.0402 0.7142 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0128 0.2137 0.5267
Brugia malayi F/Y-rich N-terminus family protein 0.0016 0.0076 0.0027
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0128 0.2137 0.5267
Brugia malayi PHD-finger family protein 0.0059 0.0869 0.0937
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.049 0.8762 1
Brugia malayi hypothetical protein 0.0275 0.4828 0.5483
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0086 0.1362 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0818 0.0879
Echinococcus granulosus methyl CpG binding domain protein 2 0.0039 0.0508 0.0599
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0056 0.0819 0.1779
Trypanosoma cruzi ISWI complex protein 0.0035 0.0435 0.2367
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0438 0.0769
Schistosoma mansoni methyl-cpg binding protein mbd 0.0039 0.0508 0.0712
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0053 0.0769 0.0968
Loa Loa (eye worm) hypothetical protein 0.01 0.1616 0.1844
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0438 0.0442
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0438 0.0769
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0086 0.1362 0.1233
Schistosoma mansoni hypothetical protein 0.0016 0.0086 0.0121
Echinococcus granulosus cpg binding protein 0.0034 0.0416 0.0468
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0438 0.0295
Loa Loa (eye worm) hypothetical protein 0.0035 0.0438 0.0499
Loa Loa (eye worm) bromodomain containing protein 0.0041 0.0534 0.061

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 25.501 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) = 45.572 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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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