Detailed information for compound 1461223

Basic information

Technical information
  • TDR Targets ID: 1461223
  • Name: 4-methyl-3-nitro-N-(2-phenylphenyl)benzamide
  • MW: 332.353 | Formula: C20H16N2O3
  • H donors: 1 H acceptors: 3 LogP: 4.58 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)[N+](=O)[O-])C)Nc1ccccc1c1ccccc1
  • InChi: 1S/C20H16N2O3/c1-14-11-12-16(13-19(14)22(24)25)20(23)21-18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-13H,1H3,(H,21,23)
  • InChiKey: MWQRMSVWLOPBAD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00272872
  • Oprea1_212122
  • MLS000577616
  • N-2-biphenylyl-4-methyl-3-nitrobenzamide
  • SMR000185611

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica Ras family GTPase 0.0059 0.0645 0.1542
Loa Loa (eye worm) glutathione reductase 0.0039 0.0356 0.1239
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0238 0.0238
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0111 0.0231
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0099 0.1215 0.5629
Entamoeba histolytica hypothetical protein 0.0043 0.0421 0.0996
Trypanosoma brucei DNA topoisomerase type IB small subunit 0.0049 0.0498 0.1142
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0015 0.0012 0.0043
Leishmania major DNA polymerase kappa, putative 0.0022 0.0111 0.0231
Brugia malayi Ras protein let-60 0.0059 0.0645 0.2246
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0015 0.0012 0.0012
Onchocerca volvulus 0.0031 0.0238 0.0722
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4118 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0591 0.0591
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0591 0.0591
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0089 0.1073 0.4962
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.2313 0.2313
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0475 0.0909
Loa Loa (eye worm) DNA topoisomerase I 0.0194 0.2587 0.9002
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0301 0.4118 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0591 0.0591
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0537 0.1272
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0409 0.0932
Loa Loa (eye worm) hypothetical protein 0.0015 0.0012 0.0043
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0238 0.0238
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0409 0.0932
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4118 1
Brugia malayi polk-prov protein 0.0032 0.026 0.0904
Brugia malayi hypoxia-induced factor 1 0.0155 0.2023 0.7039
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0591 0.0591
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0475 0.1127
Trichomonas vaginalis rheb, putative 0.0059 0.0645 0.0638
Trypanosoma brucei trypanothione reductase 0.0039 0.0356 0.0809
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0421 0.0421
Mycobacterium ulcerans hypothetical protein 0.0164 0.2149 1
Leishmania major DNA topoisomerase type IB small subunit 0.0049 0.0498 0.1142
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.0409 0.0437
Trichomonas vaginalis ras-dva small GTPase, putative 0.0059 0.0645 0.0638
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0099 0.1215 0.5629
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.031 0.0701
Brugia malayi DNA topoisomerase I 0.0194 0.2587 0.9002
Trichomonas vaginalis ral, putative 0.0059 0.0645 0.0638
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.0356 0.1239
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0425 0.097
Schistosoma mansoni DNA polymerase eta 0.0015 0.0012 0.0012
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0044 0.0074
Schistosoma mansoni single-minded 0.005 0.0516 0.0516
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4118 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0409 0.0932
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0409 0.0932
Plasmodium vivax glutathione reductase, putative 0.0039 0.0356 0.0502
Trichomonas vaginalis rap1 and, putative 0.0059 0.0645 0.0638
Toxoplasma gondii hypothetical protein 0.005 0.0517 0.1187
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0363 0.0363
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0591 0.2056
Trypanosoma brucei unspecified product 0.0036 0.031 0.0701
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0015 0.0012 0.0012
Entamoeba histolytica Ras family GTPase 0.0059 0.0645 0.1542
Loa Loa (eye worm) hypoxia-induced factor 1 0.0155 0.2023 0.7039
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0409 0.0932
Trichomonas vaginalis dexras1, putative 0.0059 0.0645 0.0638
Leishmania major trypanothione reductase 0.0039 0.0356 0.0809
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.2313 0.2313
Brugia malayi PAS domain containing protein 0.005 0.0516 0.1795
Entamoeba histolytica hypothetical protein 0.0043 0.0421 0.0996
Schistosoma mansoni DNA topoisomerase type I 0.0145 0.1886 0.1886
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0012 0.0043
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0099 0.1215 0.1705
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0851 0.0851
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0537 0.0345
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4118 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4118 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0537 0.1272
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0409 0.0932
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0111 0.046
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0145 0.1886 0.4409
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4118 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0409 0.0932
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0475 0.0534
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0145 0.1886 0.4409
Trypanosoma cruzi DNA topoisomerase type IB small subunit, putative 0.0049 0.0498 0.1142
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0015 0.0012 0.0012
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0238 0.0238
Plasmodium falciparum topoisomerase I 0.0194 0.2587 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0099 0.1215 0.5629
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.0356 0.1608
Brugia malayi Pre-SET motif family protein 0.0031 0.0238 0.0828
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0851 0.2868
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0851 0.3925
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0409 0.0932
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0409 0.0932
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0044 0.0074
Schistosoma mansoni aryl hydrocarbon receptor 0.005 0.0516 0.0516
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0409 0.0932
Entamoeba histolytica ras-1, putative 0.0059 0.0645 0.1542
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0591 0.0591
Brugia malayi bHLH-PAS transcription factor 0.0037 0.0329 0.1145
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0238 0.0238
Loa Loa (eye worm) hypothetical protein 0.0168 0.221 0.7689
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0147 0.1908 0.8871
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0562 0.1293
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0012 0.0043
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0044 0.0074
Echinococcus granulosus ras gtpase 0.0059 0.0645 0.0645
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0425 0.097
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0425 0.097
Echinococcus multilocularis DNA topoisomerase 1 0.0194 0.2587 0.2587
Loa Loa (eye worm) hypothetical protein 0.0031 0.0238 0.0828
Brugia malayi Ras-related protein R-Ras2 0.0059 0.0645 0.2246
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0537 0.0537
Echinococcus multilocularis dna polymerase kappa 0.0043 0.0409 0.0409
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.2313 0.8049
Trichomonas vaginalis GTP-binding protein rit, putative 0.0059 0.0645 0.0638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0851 0.0851
Toxoplasma gondii thioredoxin reductase 0.0039 0.0356 0.0502
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0409 0.0932
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.0409 0.0437
Brugia malayi hypothetical protein 0.0043 0.0421 0.1466
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0851 0.2609
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0089 0.1073 0.4962
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0851 0.1973
Mycobacterium tuberculosis Probable reductase 0.0089 0.1073 0.4962
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0409 0.0932
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0421 0.0421
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0311 0.4262 1
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.0356 0.0502
Entamoeba histolytica hypothetical protein 0.0043 0.0421 0.0996
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0222 0.0222
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0089 0.1073 0.4962
Schistosoma mansoni microtubule-associated protein tau 0.071 1 1
Brugia malayi glutathione reductase 0.0039 0.0356 0.1239
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0851 0.2868
Mycobacterium tuberculosis Conserved hypothetical protein 0.0164 0.2149 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.2874 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.191 0.4465
Brugia malayi Pre-SET motif family protein 0.0214 0.2874 1
Echinococcus granulosus dna polymerase kappa 0.0043 0.0409 0.0409
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0851 0.0851
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0851 0.0851
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0147 0.1908 0.8675
Toxoplasma gondii DNA topoisomerase I, putative 0.0194 0.2587 1
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0356 0.0809
Onchocerca volvulus 0.0244 0.3299 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0238 0.0238
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.191 0.4465
Entamoeba histolytica hypothetical protein 0.0043 0.0421 0.0996
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4118 1
Plasmodium vivax topoisomerase I, putative 0.0194 0.2587 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.4118 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.026 0.0582
Trichomonas vaginalis set domain proteins, putative 0.0244 0.3299 0.7792
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0363 0.0363
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0591 0.0591
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0421 0.0421
Echinococcus multilocularis ras gtpase 0.0059 0.0645 0.0645
Schistosoma mansoni DNA topoisomerase type I 0.0145 0.1886 0.1886
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0409 0.0932
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0409 0.0932
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0238 0.0238
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0111 0.0231
Onchocerca volvulus 0.0037 0.0329 0.0997
Echinococcus granulosus single minded 2 0.0037 0.0329 0.0329
Leishmania major DNA topoisomerase IB, large subunit 0.0145 0.1886 0.4409
Echinococcus granulosus dna polymerase eta 0.0015 0.0012 0.0012
Schistosoma mansoni DNA topoisomerase type I 0.0194 0.2587 0.2587
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0591 0.0591
Echinococcus multilocularis dna polymerase eta 0.0015 0.0012 0.0012
Schistosoma mansoni hypothetical protein 0.0043 0.0421 0.0421
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0409 0.0932
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0537 0.0345
Giardia lamblia Fructose-bisphosphate aldolase 0.0301 0.4118 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0301 0.4118 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.026 0.0904
Echinococcus multilocularis microtubule associated protein 2 0.071 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0301 0.4118 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0089 0.1073 0.4962
Leishmania major mitochondrial DNA polymerase beta 0.0311 0.4262 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.026 0.0582
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0425 0.097
Brugia malayi Thioredoxin reductase 0.0039 0.0356 0.1239
Echinococcus multilocularis transfer RNA-Lys 0.0037 0.0329 0.0329
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0089 0.1073 0.4962
Loa Loa (eye worm) Ras protein let-60 0.0059 0.0645 0.2246
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0238 0.0238
Loa Loa (eye worm) acetyltransferase 0.0175 0.2313 0.8049
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0591 0.2056
Echinococcus granulosus DNA topoisomerase 1 0.0194 0.2587 0.2587
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.2243 0.2243
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0311 0.4262 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0147 0.1908 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0147 0.191 0.4465
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0311 0.4262 1
Brugia malayi hypothetical protein 0.0168 0.221 0.7689
Loa Loa (eye worm) hypothetical protein 0.0059 0.0645 0.2246
Schistosoma mansoni terminal deoxycytidyl transferase 0.0015 0.0012 0.0012
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0851 0.2868
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0537 0.1272

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1413 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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