Detailed information for compound 1272789

Basic information

Technical information
  • TDR Targets ID: 1272789
  • Name: methyl 2-[(4-propan-2-ylphenoxy)carbonylamino ]benzoate
  • MW: 313.348 | Formula: C18H19NO4
  • H donors: 1 H acceptors: 2 LogP: 4.59 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccccc1NC(=O)Oc1ccc(cc1)C(C)C
  • InChi: 1S/C18H19NO4/c1-12(2)13-8-10-14(11-9-13)23-18(21)19-16-7-5-4-6-15(16)17(20)22-3/h4-12H,1-3H3,(H,19,21)
  • InChiKey: DGPXMPWTCOTNAG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-[(4-isopropylphenoxy)carbonylamino]benzoate
  • 2-[[(4-isopropylphenoxy)-oxomethyl]amino]benzoic acid methyl ester
  • 2-[(4-isopropylphenoxy)carbonylamino]benzoic acid methyl ester
  • ZINC04105557
  • MS-1249
  • MLS000327788
  • SMR000180745
  • methyl 2-{[(4-isopropylphenoxy)carbonyl]amino}benzenecarboxylate

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
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.3107 0.3338
Trypanosoma cruzi monoglyceride lipase, putative 0.0141 0.4742 0.6167
Loa Loa (eye worm) hypothetical protein 0.0021 0.0172 0.023
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0549 0.0549
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0022 0.0229 0.0305
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.3107 0.3338
Leishmania major dihydrolipoamide dehydrogenase, putative 0.003 0.0535 0.0695
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0172 0.023
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0099 0.3147 0.4192
Loa Loa (eye worm) hypothetical protein 0.0101 0.3235 0.4308
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.003 0.0535 0.1128
Trypanosoma brucei trypanothione reductase 0.0087 0.2706 0.352
Plasmodium falciparum thioredoxin reductase 0.003 0.0535 0.1128
Schistosoma mansoni hypothetical protein 0.0174 0.5999 0.5999
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0172 0.0287
Leishmania major hypothetical protein, conserved 0.0218 0.7689 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0141 0.4742 1
Brugia malayi ecdysteroid receptor 0.0021 0.0172 0.023
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0172 0.0287
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.003 0.0535 0.1128
Onchocerca volvulus 0.0042 0.0994 0.0971
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.003 0.0535 0.0695
Trypanosoma brucei hypothetical protein, conserved 0.0218 0.7689 1
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0099 0.3147 0.3147
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.4044 0.5386
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0549 0.1743
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0463 0.0148
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0101 0.3235 0.5392
Loa Loa (eye worm) hypothetical protein 0.0085 0.2629 0.3502
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.003 0.0535 0.0891
Giardia lamblia Kinase, CMGC GSK 0.0099 0.3147 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0085 0.2629 0.2629
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0172 0.023
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0172 0.0172
Plasmodium vivax PST-A protein 0.0141 0.4742 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.3107 0.3338
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0172 0.0172
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0141 0.4742 0.5309
Plasmodium falciparum lysophospholipase, putative 0.0141 0.4742 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0506 0.0843
Loa Loa (eye worm) hypothetical protein 0.0021 0.0172 0.023
Loa Loa (eye worm) glutathione reductase 0.0087 0.2706 0.3604
Brugia malayi steroid hormone receptor 0.0021 0.0172 0.023
Entamoeba histolytica hypothetical protein 0.0037 0.0788 0.1106
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.003 0.0535 1
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0172 0.0172
Entamoeba histolytica protein kinase domain containing protein 0.0099 0.3147 0.6413
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0099 0.3147 0.4093
Trichomonas vaginalis set domain proteins, putative 0.0243 0.8631 1
Trypanosoma brucei polo-like protein kinase 0.0098 0.3107 0.4041
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.3107 0.4041
Loa Loa (eye worm) hypothetical protein 0.004 0.0908 0.1209
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0172 0.023
Trypanosoma cruzi hypothetical protein, conserved 0.0218 0.7689 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0099 0.3147 0.4192
Leishmania major trypanothione reductase 0.0087 0.2706 0.352
Trichomonas vaginalis glutathione reductase, putative 0.003 0.0535 0.0235
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0172 0.023
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.3107 0.4041
Toxoplasma gondii thioredoxin reductase 0.0087 0.2706 0.8598
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0199 0.6963 0.8917
Echinococcus multilocularis chromobox protein 1 0.0072 0.2103 0.3506
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0535 0.0695
Leishmania major monoglyceride lipase, putative 0.0141 0.4742 0.6167
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0172 0.0287
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0141 0.4742 0.5918
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.3147 0.3386
Mycobacterium tuberculosis Probable reductase 0.0199 0.6963 0.8917
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0101 0.3235 0.5392
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0172 0.0287
Schistosoma mansoni hypothetical protein 0.0174 0.5999 0.5999
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0549 0.0915
Entamoeba histolytica serine/threonine protein kinase, putative 0.0098 0.3107 0.6323
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0222 0.7809 1
Trichomonas vaginalis conserved hypothetical protein 0.0141 0.4742 0.5309
Echinococcus multilocularis citrate lyase subunit beta protein 0.0025 0.034 0.0566
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0788 0.1313
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0172 0.023
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0172 0.0172
Echinococcus granulosus citrate lyase subunit beta protein 0.0025 0.034 0.0566
Giardia lamblia Kinase, PLK 0.0098 0.3107 0.9846
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0085 0.2629 0.3502
Plasmodium vivax glutathione reductase, putative 0.0087 0.2706 0.5707
Entamoeba histolytica hypothetical protein 0.0037 0.0788 0.1106
Brugia malayi Thioredoxin reductase 0.0087 0.2706 0.3604
Loa Loa (eye worm) hypothetical protein 0.0021 0.0172 0.023
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.003 0.0535 1
Trichomonas vaginalis mercuric reductase, putative 0.003 0.0535 0.0235
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.034 0.0442
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.003 0.0535 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0085 0.2629 0.4383
Brugia malayi Pre-SET motif family protein 0.0214 0.7509 1
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.034 0.0442
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0172 0.023
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.003 0.0535 0.1128
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0098 0.3107 0.5179
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0296 0.0624
Loa Loa (eye worm) thioredoxin reductase 0.0087 0.2706 0.3604
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0099 0.3147 0.4093
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0025 0.034 0.0098
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0199 0.6963 0.8917
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0172 0.0172
Trichomonas vaginalis chromobox protein, putative 0.0043 0.1024 0.0825
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0172 0.0287
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0908 0.087
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0025 0.034 0.0098
Echinococcus multilocularis geminin 0.0174 0.5999 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0098 0.3107 0.5179
Entamoeba histolytica protein kinase, putative 0.0099 0.3147 0.6413
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0141 0.4742 0.5309
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0172 0.023
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0463 0.0148
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0199 0.6963 0.8917
Mycobacterium ulcerans hypothetical protein 0.0025 0.034 0.0098
Trypanosoma cruzi trypanothione reductase, putative 0.0087 0.2706 0.352
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0141 0.4742 0.5309
Loa Loa (eye worm) hypothetical protein 0.0021 0.0172 0.023
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0549 0.0549
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0535 0.0695
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0535 0.0695
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0099 0.3147 0.5247
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.003 0.0535 0.0537
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0172 0.023
Onchocerca volvulus 0.0099 0.3147 0.3517
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0022 0.0229 0.0305
Trypanosoma cruzi trypanothione reductase, putative 0.003 0.0535 0.0695
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0141 0.4742 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.3107 0.3338
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0172 0.023
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0535 0.0695
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0172 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0172 0.023
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0296 0.0385
Brugia malayi Heterochromatin protein 1 0.0072 0.2103 0.2801
Onchocerca volvulus 0.0085 0.2629 0.2904
Trypanosoma brucei monoglyceride lipase, putative 0.0141 0.4742 0.6167
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.3147 0.3386
Echinococcus granulosus chromobox protein 1 0.0072 0.2103 0.3506
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.003 0.0535 0.0695
Brugia malayi nuclear receptor NHR-88 0.0021 0.0172 0.023
Echinococcus granulosus geminin 0.0174 0.5999 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0172 0.0287
Trypanosoma cruzi hypothetical protein, conserved 0.0218 0.7689 1
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0099 0.3147 0.5247
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.3107 0.3338
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0172 0.023
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0908 0.0685
Mycobacterium tuberculosis Probable dehydrogenase 0.0199 0.6963 0.8917
Echinococcus granulosus fatty acid amide hydrolase 1 0.0101 0.3235 0.5392
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0222 0.7809 1
Mycobacterium ulcerans hypothetical protein 0.0025 0.034 0.0098
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0172 0.023
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.1245 0.1092
Brugia malayi hypothetical protein 0.0037 0.0788 0.1049
Echinococcus multilocularis chromobox protein 1 0.0072 0.2103 0.3506
Brugia malayi Pre-SET motif family protein 0.0031 0.0549 0.0731
Echinococcus granulosus chromobox protein 1 0.0072 0.2103 0.3506
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.7509 1
Brugia malayi nuclear hormone receptor 0.0021 0.0172 0.023
Loa Loa (eye worm) hypothetical protein 0.0021 0.0172 0.023
Plasmodium falciparum thioredoxin reductase 0.0087 0.2706 0.5707
Toxoplasma gondii NADPH-glutathione reductase 0.003 0.0535 0.1699
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0172 0.0287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0172 0.023
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0172 0.0172
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0296 0.0379
Loa Loa (eye worm) hypothetical protein 0.0031 0.0549 0.0731
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0172 0.0287
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0549 0.0915
Echinococcus granulosus thioredoxin glutathione reductase 0.0088 0.2726 0.4544
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0172 0.023
Brugia malayi MH2 domain containing protein 0.0123 0.4044 0.5386
Mycobacterium tuberculosis Conserved protein 0.0025 0.034 0.0435
Schistosoma mansoni coup transcription factor 0.0021 0.0172 0.0172
Mycobacterium ulcerans hypothetical protein 0.0141 0.4742 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.003 0.0535 0.0695
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0172 0.023
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0172 0.023
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.3107 0.3338
Onchocerca volvulus 0.0243 0.8631 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0099 0.3147 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0172 0.0287
Plasmodium vivax glycogen synthase kinase 3, putative 0.0099 0.3147 0.6637
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.003 0.0535 0.0695
Plasmodium falciparum glutathione reductase 0.0087 0.2706 0.5707
Schistosoma mansoni hypothetical protein 0.0037 0.0788 0.0788
Plasmodium falciparum glutathione reductase 0.003 0.0535 0.1128
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.003 0.0535 0.0695
Trichomonas vaginalis chromobox protein, putative 0.0043 0.1024 0.0825
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.003 0.0535 0.0695
Trypanosoma brucei monoglyceride lipase, putative 0.0141 0.4742 0.6167
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0141 0.4742 0.5309
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0296 0.0385
Plasmodium falciparum glycogen synthase kinase 3 0.0099 0.3147 0.6637
Mycobacterium tuberculosis Probable oxidoreductase 0.0222 0.7809 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0579 0.077
Loa Loa (eye worm) hypothetical protein 0.0021 0.0172 0.023
Schistosoma mansoni amidase 0.0101 0.3235 0.3235
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0087 0.2706 0.3465
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0172 0.0287
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0222 0.7809 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0296 0.0941
Entamoeba histolytica hypothetical protein 0.0037 0.0788 0.1106
Entamoeba histolytica protein kinase domain containing protein 0.0099 0.3147 0.6413
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0172 0.0287
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0141 0.4742 0.5309
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0172 0.0287
Plasmodium falciparum lysophospholipase, putative 0.0141 0.4742 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0172 0.0287
Plasmodium vivax thioredoxin reductase, putative 0.0087 0.2706 0.5707
Mycobacterium ulcerans flavoprotein disulfide reductase 0.003 0.0535 0.0537
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.003 0.0535 0.0695
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0535 0.0695
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0025 0.034 0.0435
Brugia malayi chromobox protein homolog 3 0.004 0.0908 0.1209
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.003 0.0535 0.0891
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0172 0.023
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0172 0.0172
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0172 0.023
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0042 0.0994 0.0994
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0788 0.1313
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0172 0.0172
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0172 0.023
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0098 0.3107 0.4041
Loa Loa (eye worm) hypothetical protein 0.0021 0.0172 0.023
Trypanosoma brucei protein kinase, putative 0.0099 0.3147 0.4093
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0172 0.023
Trichomonas vaginalis conserved hypothetical protein 0.0141 0.4742 0.5309
Plasmodium vivax SET domain protein, putative 0.0031 0.0549 0.1157
Schistosoma mansoni serine/threonine protein kinase 0.0098 0.3107 0.3107
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.2103 0.2801
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.003 0.0535 0.0685
Echinococcus multilocularis thioredoxin glutathione reductase 0.0088 0.2726 0.4544
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0908 0.0685
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.003 0.0535 0.1699
Schistosoma mansoni fatty-acid amide hydrolase 0.0101 0.3235 0.3235
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0199 0.6963 0.8917
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0172 0.0172
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0172 0.0287
Mycobacterium ulcerans lysophospholipase 0.0141 0.4742 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0296 0.0624
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0172 0.0287
Plasmodium falciparum lysophospholipase, putative 0.0141 0.4742 1
Giardia lamblia Kinase, CMGC GSK 0.0099 0.3147 1
Brugia malayi amidase 0.0101 0.3235 0.4308
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.4044 0.5386
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0172 0.023
Schistosoma mansoni kinase 0.005 0.1293 0.1293
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0172 0.0172
Onchocerca volvulus Serine\/threonine kinase homolog 0.0098 0.3107 0.3469
Entamoeba histolytica hypothetical protein 0.0037 0.0788 0.1106
Brugia malayi serine/threonine-protein kinase plk-2 0.0098 0.3107 0.4138
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0098 0.3107 0.4138
Trichomonas vaginalis chromobox protein, putative 0.0072 0.2103 0.2127
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.003 0.0535 0.0537
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.003 0.0535 0.0695
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.3107 0.3338
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0535 0.0695
Brugia malayi intracellular kinase 0.0099 0.3147 0.4192
Schistosoma mansoni chromobox protein 0.0072 0.2103 0.2103
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0199 0.6963 0.8874
Trichomonas vaginalis chromobox protein, putative 0.0072 0.2103 0.2127
Loa Loa (eye worm) hypothetical protein 0.0021 0.0172 0.023
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0141 0.4742 0.5309
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0549 0.0915
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0172 0.0172
Echinococcus granulosus protein kinase shaggy 0.0099 0.3147 0.5247
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0296 0.0941
Echinococcus multilocularis L aminoadipate semialdehyde 0.0085 0.2629 0.4383
Echinococcus granulosus fatty acid amide hydrolase 1 0.0101 0.3235 0.5392
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0025 0.034 0.0098
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0172 0.023
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.1245 0.1092
Schistosoma mansoni chromobox protein 0.0072 0.2103 0.2103
Plasmodium falciparum esterase, putative 0.0141 0.4742 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0549 0.0549
Treponema pallidum NADH oxidase 0.003 0.0535 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0172 0.023
Onchocerca volvulus 0.0031 0.0579 0.048
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.003 0.0535 0.0535
Echinococcus multilocularis protein kinase shaggy 0.0099 0.3147 0.5247
Mycobacterium tuberculosis Possible lysophospholipase 0.0141 0.4742 0.6072
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0172 0.0287
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0172 0.0287
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.003 0.0535 0.0712
Brugia malayi glutathione reductase 0.0087 0.2706 0.3604
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.003 0.0535 0.1128
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.034 0.0442
Leishmania major dihydrolipoamide dehydrogenase, putative 0.003 0.0535 0.0695
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0788 0.0788
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0172 0.023
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0172 0.0172
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.1024 0.1006

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 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) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.8078 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 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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