Detailed information for compound 1073424

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 292.287 | Formula: C14H16N2O5
  • H donors: 2 H acceptors: 3 LogP: 0.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOc1ccc(cc1)CC1C(=O)NC(=O)NC1=O
  • InChi: 1S/C14H16N2O5/c1-20-6-7-21-10-4-2-9(3-5-10)8-11-12(17)15-14(19)16-13(11)18/h2-5,11H,6-8H2,1H3,(H2,15,16,17,18,19)
  • InChiKey: GCJLXPBERQPTBT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 Trypsin family protein 0.0112 0.1605 0.4891
Schistosoma mansoni hypothetical protein 0.0019 0.0127 0.0127
Echinococcus multilocularis CAAX prenyl protease 2 0.0219 0.3282 0.3282
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.0769 0.2344
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0019 0.0127 0.0085
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0019 0.0127 0.0451
Loa Loa (eye worm) hypothetical protein 0.0027 0.0254 0.0773
Plasmodium falciparum protease, putative 0.0045 0.0543 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0112 0.1605 0.1605
Loa Loa (eye worm) hypothetical protein 0.0025 0.0223 0.068
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0019 0.0127 0.0451
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0019 0.0127 0.0085
Toxoplasma gondii exonuclease III APE 0.002 0.0142 0.035
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0142 0.0046
Echinococcus granulosus GPCR family 2 0.0019 0.0127 0.0127
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0127 0.0388
Onchocerca volvulus 0.0025 0.0223 0.0594
Brugia malayi cytochrome P450 0.0019 0.0127 0.0388
Loa Loa (eye worm) MH2 domain-containing protein 0.0111 0.159 0.4843
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0019 0.0127 0.0085
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0019 0.0127 0.0085
Schistosoma mansoni hypothetical protein 0.0041 0.0472 0.0472
Schistosoma mansoni hypothetical protein 0.0019 0.0127 0.0127
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0218 0.328 0.9995
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0219 0.3282 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0223 0.2373
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0142 0.0046
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0019 0.0127 0.0085
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0142 0.0785
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0019 0.0127 0.0451
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0219 0.3282 0.3282
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0127 0.0388
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0325 0.0325
Trichomonas vaginalis set domain proteins, putative 0.0249 0.3757 1
Brugia malayi CAAX amino terminal protease family protein 0.0219 0.3282 1
Mycobacterium tuberculosis Probable integral membrane protein 0.0045 0.0543 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0223 0.2373
Entamoeba histolytica CAAX amino terminal protease family 0.0045 0.0543 0.1275
Loa Loa (eye worm) transcription factor SMAD2 0.0111 0.159 0.4843
Entamoeba histolytica CAAX prenyl protease family 0.0219 0.3282 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0223 0.2373
Schistosoma mansoni cytochrome P450 0.0019 0.0127 0.0127
Brugia malayi Cytochrome P450 family protein 0.0059 0.0768 0.2341
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0127 0.0127
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0325 0.0325
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0325 0.0325
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0223 1
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0019 0.0127 0.0085
Mycobacterium ulcerans hypothetical protein 0.0025 0.0223 0.2373
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0045 0.0543 1
Echinococcus granulosus CAAX prenyl protease 2 0.0219 0.3282 0.3282
Mycobacterium ulcerans hypothetical protein 0.0045 0.0543 1
Brugia malayi hypothetical protein 0.0017 0.0104 0.0316
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0019 0.0127 0.0085
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0275 0.0467
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0223 0.0304
Toxoplasma gondii hypothetical protein 0.0045 0.0543 1
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0254 0.04
Loa Loa (eye worm) hypothetical protein 0.0019 0.0124 0.0378
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.0769 0.2344
Schistosoma mansoni ap endonuclease 0.002 0.0142 0.0142
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0142 0.0046
Mycobacterium ulcerans integral membrane protein 0.0045 0.0543 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0142 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0223 1
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0019 0.0127 0.0085
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0019 0.0127 0.0451
Schistosoma mansoni ap endonuclease 0.002 0.0142 0.0142
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.0275 0.3601
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0254 0.3099
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0325 0.0325
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0325 0.0325
Plasmodium vivax SET domain protein, putative 0.0031 0.0325 0.4806
Brugia malayi Cytochrome P450 family protein 0.0028 0.0275 0.0837
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0142 0.0142
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0127 0.0388
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0019 0.0127 0.0451
Echinococcus multilocularis GPCR, family 2 0.0019 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0219 0.3282 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0019 0.0127 0.0085
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0019 0.0127 0.0085
Loa Loa (eye worm) hypothetical protein 0.0112 0.1605 0.4891
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0127 0.0127
Onchocerca volvulus 0.0112 0.1605 0.4273
Chlamydia trachomatis hypothetical protein 0.0045 0.0543 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0275 0.0837
Toxoplasma gondii hypothetical protein 0.0045 0.0543 1
Onchocerca volvulus 0.0249 0.3757 1
Echinococcus multilocularis 0.0019 0.0127 0.0127
Brugia malayi Pre-SET motif family protein 0.0031 0.0325 0.0991
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0112 0.1605 0.1605
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0019 0.0127 0.0451
Mycobacterium tuberculosis Conserved hypothetical protein 0.0045 0.0543 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0124 0.0378
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0045 0.0543 1
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0275 0.0467
Loa Loa (eye worm) hypothetical protein 0.0112 0.1605 0.4891
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0307 0.0307
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0019 0.0127 0.0451
Echinococcus granulosus cytochrome P450 2K1 0.0019 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0025 0.0223 0.068
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0223 0.068
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0254 0.04
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0019 0.0127 0.0085
Entamoeba histolytica CAAX amino terminal protease family 0.0045 0.0543 0.1275
Loa Loa (eye worm) hypothetical protein 0.0019 0.0127 0.0388
Brugia malayi Cytochrome P450 family protein 0.0028 0.0275 0.0837
Schistosoma mansoni hypothetical protein 0.0012 0.002 0.002
Mycobacterium ulcerans hypothetical protein 0.0045 0.0543 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0275 0.0837
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0325 0.4762
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0223 0.2655
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0019 0.0127 0.0085
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0254 0.304
Loa Loa (eye worm) hypothetical protein 0.0059 0.0769 0.2344
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0019 0.0127 0.0451
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0019 0.0127 0.0451
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0019 0.0127 0.0085
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0472 0.1438
Trypanosoma brucei CAAX amino terminal protease, putative 0.0219 0.3282 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0223 0.068
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0223 0.2373
Brugia malayi Pre-SET motif family protein 0.0218 0.328 0.9995
Loa Loa (eye worm) hypothetical protein 0.0019 0.0124 0.0378
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0768 0.2341
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0223 0.0304
Loa Loa (eye worm) hypothetical protein 0.0019 0.0124 0.0378
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0219 0.3282 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0019 0.0127 0.0451
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0142 0.0046
Loa Loa (eye worm) hypothetical protein 0.0041 0.0472 0.1438
Trypanosoma brucei cytochrome P450, putative 0.0028 0.0275 0.0467
Loa Loa (eye worm) cytochrome P450 0.0019 0.0127 0.0388
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0325 0.0325
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0019 0.0127 0.0451
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0019 0.0127 0.0085
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0019 0.0127 0.0085
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0223 0.2373
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0254 0.04
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0019 0.0127 0.0451
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0019 0.0127 0.0451
Leishmania major cytochrome p450-like protein 0.0028 0.0275 0.0467
Plasmodium vivax protease, putative 0.0045 0.0543 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0124 0.0378
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0019 0.0127 0.0085
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0223 0.0259
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0325 0.0325
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0019 0.0127 0.0451
Schistosoma mansoni hypothetical protein 0.0019 0.0127 0.0127
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0124 0.0369
Loa Loa (eye worm) CYP4Cod1 0.0028 0.0275 0.0837
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0019 0.0127 0.0085
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0019 0.0127 0.0085
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0019 0.0127 0.0451
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0223 0.2373
Loa Loa (eye worm) hypothetical protein 0.0031 0.0325 0.0991
Giardia lamblia Hypothetical protein 0.0219 0.3282 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0223 0.0259
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0223 0.068
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.002 0.002
Leishmania major hypothetical protein, conserved 0.0027 0.0254 0.04
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0127 0.0127
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0223 0.0304
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0142 0.0432
Brugia malayi MH2 domain containing protein 0.0111 0.159 0.4843
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0223 0.2373
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0219 0.3282 0.8686
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.0769 0.2344
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0142 0.0142
Treponema pallidum hypothetical protein 0.0045 0.0543 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0223 0.0259
Schistosoma mansoni hypothetical protein 0.0019 0.0127 0.0127
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0127 0.0127
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0219 0.3282 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0019 0.0127 0.0451
Brugia malayi Cytochrome P450 family protein 0.0019 0.0127 0.0388
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0254 0.3099
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0142 0.0433
Onchocerca volvulus 0.0105 0.149 0.3965
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0254 0.3099
Schistosoma mansoni hypothetical protein 0.0019 0.0127 0.0127
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0019 0.0127 0.0451
Brugia malayi hypothetical protein 0.0027 0.0254 0.0773
Onchocerca volvulus 0.0031 0.0325 0.0865
Toxoplasma gondii CAAX amino terminal protease family protein 0.0045 0.0543 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0019 0.0127 0.0451
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0223 0.2655
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0142 0.0432
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0019 0.0127 0.0451
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0019 0.0127 0.0451
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0142 0.0433
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0223 0.068
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0019 0.0127 0.0085
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0219 0.3282 0.3282
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.002 0.002
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0019 0.0127 0.0085
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0142 0.0432

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antibacterial activity against Escherichia coli at 1 mg/ml after 24 hrs by agar dilution method ChEMBL. 19552984
IC50 (binding) > 200 uM Inhibition of mushroom tyrosinase ChEMBL. 19552984
Inhibition (binding) = 23.12 % Inhibition of mushroom tyrosinase at 200 uM ChEMBL. 19552984

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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