Detailed information for compound 1025522

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 356.374 | Formula: C22H16N2O3
  • H donors: 1 H acceptors: 2 LogP: 5.32 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)N/N=C/1\C(=O)Oc2c(C1=O)cc(cc2)c1ccccc1
  • InChi: 1S/C22H16N2O3/c1-14-6-5-9-17(12-14)23-24-20-21(25)18-13-16(15-7-3-2-4-8-15)10-11-19(18)27-22(20)26/h2-13,23H,1H3/b24-20-
  • InChiKey: ZKKZISFUDWMRHO-GFMRDNFCSA-N  

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
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.1414 0.3027
Loa Loa (eye worm) glutathione reductase 0.0052 0.1041 0.1197
Schistosoma mansoni intermediate filament proteins 0.003 0.0421 0.0673
Brugia malayi hypothetical protein 0.0018 0.0108 0.0074
Mycobacterium tuberculosis Conserved hypothetical protein 0.0176 0.4433 1
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0568 0.0606
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0382 0.2969
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.1041 0.1197
Schistosoma mansoni hypothetical protein 0.019 0.4819 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0185 0.0865
Schistosoma mansoni hypothetical protein 0.0035 0.0568 0.0984
Toxoplasma gondii exonuclease III APE 0.0021 0.0185 0.0619
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0119 0.2879 0.6411
Echinococcus multilocularis dual specificity 0.0098 0.2302 0.2302
Echinococcus granulosus GPCR family 2 0.0035 0.0568 0.0568
Echinococcus multilocularis musashi 0.003 0.0421 0.0421
Mycobacterium tuberculosis Probable dehydrogenase 0.0119 0.2879 0.6411
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.1041 0.1082
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0104 0.0104
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0508 0.3086
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0104 0.007
Leishmania major mitochondrial DNA polymerase beta 0.0333 0.8768 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.2288 0.2629
Brugia malayi acetyltransferase, GNAT family protein 0.0162 0.4065 0.4644
Onchocerca volvulus 0.0331 0.8703 1
Entamoeba histolytica hypothetical protein 0.0098 0.2302 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.1414 0.1512
Onchocerca volvulus 0.026 0.6759 0.7653
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0382 0.2969
Schistosoma mansoni hypothetical protein 0.0076 0.1683 0.335
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0043 0.005
Schistosoma mansoni tar DNA-binding protein 0.0144 0.3554 0.7317
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0098 0.2302 0.2645
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0508 0.0508
Echinococcus granulosus geminin 0.019 0.4819 0.4819
Schistosoma mansoni ap endonuclease 0.0021 0.0185 0.0172
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0568 0.0568
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.1014 0.1165
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0162 0.4065 0.8401
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.0895 0.0913
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.1128 0.2172
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0104 0.0104
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0119 0.2879 0.6411
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.0895 0.0913
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0508 0.0508
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0111 0.2645 0.3039
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0158 0.3943 0.4431
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0158 0.3943 0.4431
Brugia malayi intermediate filament protein 0.003 0.0421 0.0437
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0568 0.0568
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0185 0.0094
Leishmania major hypothetical protein, conserved 0.0028 0.0382 0.0321
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0111 0.2645 0.3004
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0185 0.0164
Loa Loa (eye worm) hypothetical protein 0.0033 0.0508 0.0584
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0508 0.0857
Entamoeba histolytica hypothetical protein 0.0039 0.0665 0.2269
Brugia malayi RNA recognition motif domain containing protein 0.0144 0.3554 0.4054
Plasmodium vivax glutathione reductase, putative 0.0052 0.1041 1
Loa Loa (eye worm) hypothetical protein 0.0331 0.8703 1
Brugia malayi Thioredoxin reductase 0.0052 0.1041 0.1153
Trichomonas vaginalis set domain proteins, putative 0.026 0.6759 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0119 0.2879 0.6411
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0333 0.8768 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0132 0.3244 0.7254
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0098 0.2302 0.2537
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.1041 0.2165
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0098 0.2302 0.2537
Mycobacterium tuberculosis Probable reductase 0.0119 0.2879 0.6411
Toxoplasma gondii thioredoxin reductase 0.0052 0.1041 0.7154
Loa Loa (eye worm) hypothetical protein 0.0055 0.1128 0.1296
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.1414 0.3027
Loa Loa (eye worm) hypothetical protein 0.0098 0.2288 0.2629
Echinococcus granulosus intermediate filament protein 0.003 0.0421 0.0421
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0185 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0111 0.2645 0.3004
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1014 0.1014
Onchocerca volvulus 0.0055 0.1128 0.0854
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0508 0.0857
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0144 0.3554 0.4083
Trypanosoma brucei trypanothione reductase 0.0052 0.1041 0.1082
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.1414 0.3027
Schistosoma mansoni hypothetical protein 0.0035 0.0568 0.0984
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0132 0.3244 0.7254
Entamoeba histolytica hypothetical protein 0.0039 0.0665 0.2269
Leishmania major trypanothione reductase 0.0052 0.1041 0.1082
Echinococcus granulosus lamin dm0 0.003 0.0421 0.0421
Brugia malayi Protein kinase domain containing protein 0.0098 0.2302 0.2608
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0421 0.0437
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.0918 0.1223
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.1414 0.1414
Plasmodium falciparum thioredoxin reductase 0.0052 0.1041 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0568 0.0606
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0568 0.0568
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1014 0.193
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0382 0.0321
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0809 0.7519
Brugia malayi RNA binding protein 0.0144 0.3554 0.4054
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0185 0.0185
Loa Loa (eye worm) intermediate filament protein 0.003 0.0421 0.0484
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0508 0.0857
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0185 0.0213
Schistosoma mansoni lamin 0.003 0.0421 0.0673
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.1041 0.1041
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.0918 0.0918
Plasmodium falciparum glutathione reductase 0.0052 0.1041 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.2645 0.3039
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0185 0.0185
Entamoeba histolytica protein kinase, putative 0.0098 0.2302 1
Toxoplasma gondii hypothetical protein 0.0054 0.1085 0.7485
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.1414 0.2779
Brugia malayi hypothetical protein 0.0331 0.8703 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0185 1
Schistosoma mansoni hypothetical protein 0.0035 0.0568 0.0984
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0185 0.0094
Schistosoma mansoni hypothetical protein 0.019 0.4819 1
Plasmodium vivax SET domain protein, putative 0.0033 0.0508 0.4313
Brugia malayi TAR-binding protein 0.0144 0.3554 0.4054
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0229 0.5891 0.6769
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.1014 0.1121
Echinococcus multilocularis lamin 0.003 0.0421 0.0421
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0185 0.115
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.1414 0.1414
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0158 0.3943 0.4431
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0185 0.0122
Echinococcus granulosus histone acetyltransferase KAT2B 0.0158 0.394 0.394
Brugia malayi Pre-SET motif family protein 0.0033 0.0508 0.0537
Loa Loa (eye worm) hypothetical protein 0.0076 0.1683 0.1934
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0665 0.0665
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0333 0.8768 1
Schistosoma mansoni lamin 0.003 0.0421 0.0673
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0508 0.0857
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0098 0.2302 0.2537
Brugia malayi hypothetical protein 0.0028 0.0382 0.0392
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0421 0.0484
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.1041 0.1041
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1014 0.1014
Entamoeba histolytica protein kinase, putative 0.0098 0.2302 1
Echinococcus multilocularis geminin 0.019 0.4819 0.4819
Loa Loa (eye worm) hypothetical protein 0.003 0.0421 0.0484
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0382 0.2124
Echinococcus multilocularis lamin dm0 0.003 0.0421 0.0421
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0382 0.2969
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0132 0.3244 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0185 0.0187
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0665 0.0665
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0665 0.119
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0809 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0568 0.0568
Schistosoma mansoni tar DNA-binding protein 0.0144 0.3554 0.7317
Entamoeba histolytica protein kinase domain containing protein 0.0098 0.2302 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.1414 0.3027
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0057 0.1177 0.1238
Schistosoma mansoni serine/threonine protein kinase 0.0098 0.2302 0.4661
Schistosoma mansoni hypothetical protein 0.0039 0.0665 0.119
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.1414 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1014 0.193
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0185 0.0865
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0333 0.8768 1
Loa Loa (eye worm) RNA binding protein 0.0144 0.3554 0.4083
Mycobacterium ulcerans hypothetical protein 0.0176 0.4433 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0475 0.0475
Schistosoma mansoni ap endonuclease 0.0021 0.0185 0.0172
Mycobacterium tuberculosis Probable oxidoreductase 0.0132 0.3244 0.7254
Brugia malayi Pre-SET motif family protein 0.0229 0.5891 0.6753
Schistosoma mansoni tar DNA-binding protein 0.0144 0.3554 0.7317
Entamoeba histolytica hypothetical protein 0.0039 0.0665 0.2269
Echinococcus granulosus dual specificity 0.0098 0.2302 0.2302
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.1414 0.2779
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0104 0.5
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0098 0.2302 0.2537
Echinococcus multilocularis GPCR, family 2 0.0035 0.0568 0.0568
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0568 0.0653
Loa Loa (eye worm) hypothetical protein 0.0035 0.0568 0.0653
Echinococcus granulosus lamin 0.003 0.0421 0.0421
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.0918 0.6213
Onchocerca volvulus 0.0033 0.0508 0.0105
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0185 0.0122
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1014 0.193
Schistosoma mansoni tar DNA-binding protein 0.0144 0.3554 0.7317
Loa Loa (eye worm) hypothetical protein 0.0029 0.0406 0.0467
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.0918 0.1223
Loa Loa (eye worm) hypothetical protein 0.0028 0.0382 0.0439
Schistosoma mansoni tar DNA-binding protein 0.0144 0.3554 0.7317
Brugia malayi glutathione reductase 0.0052 0.1041 0.1153
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0382 0.0321
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.1683 0.1894
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.1041 1
Loa Loa (eye worm) TAR-binding protein 0.0144 0.3554 0.4083
Loa Loa (eye worm) acetyltransferase 0.0162 0.4065 0.4671
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.0918 0.8684
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0809 0.2947
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0185 0.0187
Echinococcus multilocularis tumor protein p63 0.0378 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.0918 0.6213
Schistosoma mansoni hypothetical protein 0.0035 0.0568 0.0984
Entamoeba histolytica hypothetical protein 0.0039 0.0665 0.2269
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0047 0.0895 0.0913
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1014 0.1014
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0119 0.2879 0.6411
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0185 0.0094
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0162 0.4065 0.4065
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0185 0.0094
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0508 0.0508
Echinococcus multilocularis tar DNA binding protein 0.0144 0.3554 0.3554
Brugia malayi hypothetical protein 0.0039 0.0665 0.0718
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0382 0.0321
Echinococcus granulosus tar DNA binding protein 0.0144 0.3554 0.3554
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0047 0.0895 0.0913
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1014 0.1014

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 23 % Growth inhibition of Mycobacterium tuberculosis H37Rv ATCC 27294 after 5 to 8 days by microplate alamar blue assay ChEMBL. 21752642
MIC99 (functional) < 6.25 ug ml-1 Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 after 5 to 8 days by microplate alamar blue assay ChEMBL. 21752642

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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