Detailed information for compound 1198802

Basic information

Technical information
  • TDR Targets ID: 1198802
  • Name: N-[(2-chlorophenyl)methyl]-N-[2-(3-methylbuty lamino)-2-oxoethyl]-N'-pyridin-2-ylbutanediam ide
  • MW: 444.954 | Formula: C23H29ClN4O3
  • H donors: 2 H acceptors: 4 LogP: 2.88 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)Cc1ccccc1Cl)C
  • InChi: 1S/C23H29ClN4O3/c1-17(2)12-14-26-22(30)16-28(15-18-7-3-4-8-19(18)24)23(31)11-10-21(29)27-20-9-5-6-13-25-20/h3-9,13,17H,10-12,14-16H2,1-2H3,(H,26,30)(H,25,27,29)
  • InChiKey: HFKDMPHUYCQLDB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2-chlorophenyl)methyl]-N-[2-(isopentylamino)-2-oxo-ethyl]-N'-(2-pyridyl)butanediamide
  • N-[(2-chlorophenyl)methyl]-N-[2-(isopentylamino)-2-oxoethyl]-N'-(2-pyridyl)butanediamide
  • N-(2-chlorobenzyl)-N-[2-(isoamylamino)-2-keto-ethyl]-N'-(2-pyridyl)succinamide
  • N-[(2-chlorophenyl)methyl]-N-[2-(3-methylbutylamino)-2-oxo-ethyl]-N'-pyridin-2-yl-butanediamide
  • ASN 05392304

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
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0037 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0037 0.0067
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0037 0.0067
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0201 0.0446
Mycobacterium ulcerans acyl-CoA synthetase 0.0051 0.0354 0.0539
Plasmodium falciparum pyruvate kinase 2 0.0034 0.0185 0.0661
Loa Loa (eye worm) hypothetical protein 0.0046 0.0311 0.0555
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0038 0.0223 0.0302
Loa Loa (eye worm) hypothetical protein 0.0038 0.0223 0.0397
Schistosoma mansoni cellular tumor antigen P53 0.0105 0.0921 0.164
Toxoplasma gondii pyruvate kinase PyK1 0.0066 0.0519 0.9153
Echinococcus multilocularis GPCR, family 2 0.0048 0.0333 0.0333
Schistosoma mansoni hypothetical protein 0.0105 0.0913 0.1628
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0037 0.0037
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.002 0.0041 0.0072
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0055 0.0098
Loa Loa (eye worm) pyruvate kinase 0.0066 0.0519 0.0924
Schistosoma mansoni hypothetical protein 0.0168 0.1561 0.2781
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0037 0.0067
Mycobacterium leprae Probable pyruvate kinase PykA 0.0066 0.0519 0.0672
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0037 0.0037
Brugia malayi steroid hormone receptor 0.002 0.0037 0.0067
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0333 0.0594
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0067
Trichomonas vaginalis pyruvate kinase, putative 0.0066 0.0519 0.0835
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0037 0.0067
Loa Loa (eye worm) TAR-binding protein 0.0195 0.1841 0.3281
Echinococcus multilocularis pyruvate kinase 0.0066 0.0519 0.0519
Plasmodium falciparum pyruvate kinase 0.0066 0.0519 0.1853
Schistosoma mansoni ap endonuclease 0.0021 0.0055 0.0098
Brugia malayi AMP-binding enzyme family protein 0.0051 0.0354 0.0631
Loa Loa (eye worm) hypothetical protein 0.0105 0.0921 0.164
Echinococcus multilocularis pyruvate kinase 0.0052 0.0374 0.0374
Loa Loa (eye worm) hypothetical protein 0.0051 0.0354 0.0631
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0051 0.0354 0.0539
Echinococcus granulosus neuropeptide receptor A26 0.0986 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0037 0.0067
Brugia malayi TAR-binding protein 0.0195 0.1841 0.3281
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0037 0.0067
Loa Loa (eye worm) glutaminase 0.0561 0.5612 1
Brugia malayi nuclear hormone receptor 0.002 0.0037 0.0067
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0333 0.0333
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0037 0.0067
Brugia malayi Pyruvate kinase, M2 isozyme 0.0066 0.0519 0.0924
Echinococcus granulosus GPCR family 2 0.0048 0.0333 0.0333
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0037 0.0037
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0037 0.0067
Trichomonas vaginalis glutaminase, putative 0.0561 0.5612 1
Schistosoma mansoni ap endonuclease 0.0021 0.0055 0.0098
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.1413 0.2519
Schistosoma mansoni hypothetical protein 0.0048 0.0333 0.0594
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0038 0.0223 0.0397
Brugia malayi hypothetical protein 0.0129 0.1168 0.2081
Onchocerca volvulus Pyruvate kinase homolog 0.0066 0.0519 0.4258
Onchocerca volvulus Huntingtin homolog 0.0129 0.1168 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0051 0.0354 0.6254
Entamoeba histolytica acyl-coA synthetase, putative 0.0051 0.0354 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0038 0.0223 0.0493
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0051 0.0354 0.0539
Brugia malayi Pyruvate kinase, muscle isozyme 0.0066 0.0519 0.0924
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.1413 0.2519
Treponema pallidum hypothetical protein 0.0288 0.2798 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.0567 0.1254
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.1413 0.2519
Echinococcus multilocularis pyruvate kinase 0.0066 0.0519 0.0519
Loa Loa (eye worm) hypothetical protein 0.0038 0.0223 0.0397
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0037 0.0067
Mycobacterium ulcerans glutaminase 0.0561 0.5612 1
Mycobacterium ulcerans hypothetical protein 0.0051 0.0354 0.0539
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0067
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0201 0.0446
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.0567 0.0567
Loa Loa (eye worm) hypothetical protein 0.0153 0.1413 0.2519
Echinococcus multilocularis neuropeptide s receptor 0.0986 1 1
Brugia malayi beta-lactamase family protein 0.0071 0.0567 0.101
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.0567 0.0921
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0067
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.1299 0.1299
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0037 0.0037
Leishmania major pyruvate kinase 0.0066 0.0519 0.9153
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0055 0.0196
Leishmania major pyruvate kinase 0.0066 0.0519 0.9153
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0037 0.0067
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0567 0.101
Plasmodium vivax hypothetical protein, conserved 0.0071 0.0567 0.2025
Echinococcus multilocularis tumor protein p63 0.0721 0.7262 0.7262
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0567 0.0921
Toxoplasma gondii ABC1 family protein 0.0071 0.0567 1
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.0567 0.1254
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0333 0.0333
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0037 0.0037
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.0913 0.1628
Mycobacterium ulcerans acyl-CoA synthetase 0.0051 0.0354 0.0539
Echinococcus multilocularis tar DNA binding protein 0.0195 0.1841 0.1841
Mycobacterium leprae Probable lipase LipE 0.0071 0.0567 0.0868
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0055 0.0966
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0142 0.1299 0.2315
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0037 0.0037
Onchocerca volvulus Pyruvate kinase homolog 0.0066 0.0519 0.4258
Entamoeba histolytica pyruvate kinase, putative 0.0046 0.0311 0.856
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0051 0.0354 0.0784
Schistosoma mansoni pyruvate kinase 0.0066 0.0519 0.0924
Echinococcus granulosus pyruvate kinase 0.0034 0.0185 0.0185
Brugia malayi RNA binding protein 0.0195 0.1841 0.3281
Loa Loa (eye worm) hypothetical protein 0.025 0.2409 0.4293
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0567 1
Giardia lamblia Pyruvate kinase 0.0034 0.0185 0.2808
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.0567 0.0921
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0354 0.0784
Echinococcus granulosus pyruvate kinase 0.0066 0.0519 0.0519
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0037 0.0067
Schistosoma mansoni hypothetical protein 0.0048 0.0333 0.0594
Loa Loa (eye worm) hypothetical protein 0.0071 0.0567 0.101
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0567 0.0921
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0037 0.0067
Trichomonas vaginalis pyruvate kinase, putative 0.0066 0.0519 0.0835
Schistosoma mansoni survival motor neuron protein 0.0051 0.0359 0.0639
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.1299 0.2315
Trypanosoma brucei pyruvate kinase 1, putative 0.0066 0.0519 0.9153
Schistosoma mansoni hypothetical protein 0.0168 0.1561 0.2781
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.0567 0.1254
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0037 0.0037
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0288 0.2798 0.6192
Entamoeba histolytica acyl-CoA synthetase, putative 0.0051 0.0354 1
Onchocerca volvulus Huntingtin homolog 0.0129 0.1168 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0567 0.101
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0067
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0055 0.0121
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0288 0.2798 0.4937
Echinococcus granulosus tar DNA binding protein 0.0195 0.1841 0.1841
Brugia malayi beta-lactamase 0.0071 0.0567 0.101
Plasmodium vivax acyl-CoA synthetase, putative 0.0038 0.0223 0.0796
Schistosoma mansoni pyruvate kinase 0.0066 0.0519 0.0924
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.0567 0.1254
Schistosoma mansoni tar DNA-binding protein 0.0195 0.1841 0.3281
Brugia malayi RNA recognition motif domain containing protein 0.0195 0.1841 0.3281
Schistosoma mansoni thyroid hormone receptor 0.002 0.0037 0.0067
Leishmania major 4-coumarate:coa ligase-like protein 0.0051 0.0354 0.6254
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0333 0.0333
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.0567 0.0567
Toxoplasma gondii pyruvate kinase PyKII 0.0034 0.0185 0.3265
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.1299 0.2315
Brugia malayi beta-lactamase family protein 0.0071 0.0567 0.101
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0037 0.0037
Onchocerca volvulus 0.0071 0.0567 0.4682
Onchocerca volvulus 0.0051 0.0359 0.2842
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0067
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.0567 0.101
Loa Loa (eye worm) hypothetical protein 0.0038 0.0223 0.0397
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0051 0.0354 0.0539
Schistosoma mansoni glutaminase 0.0561 0.5612 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0067
Echinococcus granulosus pyruvate kinase 0.0034 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0071 0.0567 0.101
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0195 0.1841 0.3281
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0037 0.0067
Mycobacterium tuberculosis Conserved protein 0.0071 0.0567 0.1254
Echinococcus granulosus survival motor neuron protein 1 0.025 0.2409 0.2409
Loa Loa (eye worm) beta-lactamase 0.0071 0.0567 0.101
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0037 0.0067
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0051 0.0359 0.0639
Echinococcus multilocularis geminin 0.0168 0.1561 0.1561
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0037 0.0067
Mycobacterium ulcerans beta-lactamase 0.0071 0.0567 0.0921
Plasmodium falciparum acyl-CoA synthetase 0.0038 0.0223 0.0796
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0055 0.0055
Entamoeba histolytica acyl-CoA synthetase, putative 0.0051 0.0354 1
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.0567 0.1254
Onchocerca volvulus 0.0051 0.0354 0.2805
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0037 0.0067
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0067
Schistosoma mansoni hypothetical protein 0.0048 0.0333 0.0594
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0055 0.5
Mycobacterium tuberculosis Conserved protein 0.0071 0.0567 0.1254
Onchocerca volvulus 0.0105 0.0921 0.7813
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0037 0.0067
Echinococcus multilocularis survival motor neuron protein 1 0.025 0.2409 0.2409
Echinococcus granulosus tumor protein p63 0.0721 0.7262 0.7262
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0037 0.0067
Toxoplasma gondii exonuclease III APE 0.0021 0.0055 0.0966
Loa Loa (eye worm) pyruvate kinase 0.0066 0.0519 0.0924
Schistosoma mansoni nuclear hormone receptor 0.002 0.0037 0.0067
Loa Loa (eye worm) pyruvate kinase-PB 0.0046 0.0311 0.0555
Loa Loa (eye worm) hypothetical protein 0.0066 0.0519 0.0924
Chlamydia trachomatis pyruvate kinase 0.0066 0.0519 1
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.0567 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.1299 0.1299
Mycobacterium ulcerans acyl-CoA synthetase 0.0051 0.0354 0.0539
Brugia malayi glutaminase DH11.1 0.0561 0.5612 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0055 0.0966
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.1299 0.2315
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0288 0.2798 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0037 0.0067
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.0567 0.101
Trypanosoma cruzi pyruvate kinase 2, putative 0.0066 0.0519 0.9153
Loa Loa (eye worm) hypothetical protein 0.0129 0.1168 0.2081
Loa Loa (eye worm) hypothetical protein 0.0071 0.0567 0.101
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0567 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0567 0.0921
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0037 0.0037
Mycobacterium leprae conserved hypothetical protein 0.0071 0.0567 0.0868
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0333 0.0333
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0037 0.0037
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.0567 0.1254
Loa Loa (eye worm) hypothetical protein 0.0071 0.0567 0.101
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0037 0.0037
Schistosoma mansoni coup transcription factor 0.002 0.0037 0.0067
Brugia malayi AMP-binding enzyme family protein 0.0051 0.0354 0.0631
Loa Loa (eye worm) glutaminase 2 0.0561 0.5612 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0037 0.0067
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0288 0.2798 1
Mycobacterium ulcerans lipase LipD 0.0071 0.0567 0.0921
Onchocerca volvulus 0.0071 0.0567 0.4682
Mycobacterium tuberculosis Conserved protein 0.0071 0.0567 0.1254
Brugia malayi nuclear receptor NHR-88 0.002 0.0037 0.0067
Schistosoma mansoni thyroid hormone receptor 0.002 0.0037 0.0067
Schistosoma mansoni tar DNA-binding protein 0.0195 0.1841 0.3281
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0333 0.0594
Plasmodium vivax pyruvate kinase 2, putative 0.0034 0.0185 0.0661
Schistosoma mansoni tar DNA-binding protein 0.0195 0.1841 0.3281
Schistosoma mansoni hypothetical protein 0.0048 0.0333 0.0594
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0037 0.0067
Plasmodium vivax pyruvate kinase, putative 0.0066 0.0519 0.1853
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0455 0.4519 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0567 0.101
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0055 0.0098
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0055 0.0966
Trypanosoma brucei pyruvate kinase 1 0.0066 0.0519 0.9153
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0567 0.0921
Loa Loa (eye worm) hypothetical protein 0.0105 0.0913 0.1628
Echinococcus granulosus FTZ F1 alpha 0.002 0.0037 0.0037
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0066 0.0519 0.1148
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0037 0.0067
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0037 0.0067
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0037 0.0067
Giardia lamblia Pyruvate kinase 0.0066 0.0519 1
Echinococcus multilocularis pyruvate kinase 0.0034 0.0185 0.0185
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0359 0.0639
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0201 0.0446
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0067
Trichomonas vaginalis esterase, putative 0.0071 0.0567 0.0921
Loa Loa (eye worm) RNA binding protein 0.0195 0.1841 0.3281
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0037 0.0067
Loa Loa (eye worm) hypothetical protein 0.0051 0.0354 0.0631
Echinococcus multilocularis pyruvate kinase 0.0034 0.0185 0.0185
Leishmania major hypothetical protein, conserved 0.0071 0.0567 1
Brugia malayi AMP-binding enzyme family protein 0.0051 0.0354 0.0631
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0037 0.0067
Loa Loa (eye worm) hypothetical protein 0.0071 0.0567 0.101
Loa Loa (eye worm) hypothetical protein 0.0129 0.1168 0.2081
Leishmania major 4-coumarate:coa ligase-like protein 0.0051 0.0354 0.6254
Trypanosoma cruzi pyruvate kinase 2, putative 0.0066 0.0519 0.9153
Echinococcus granulosus geminin 0.0168 0.1561 0.1561
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0037 0.0067
Schistosoma mansoni tar DNA-binding protein 0.0195 0.1841 0.3281
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0051 0.0354 0.0539
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0333 0.0594
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0037 0.0067
Loa Loa (eye worm) pyruvate kinase 0.0066 0.0519 0.0924
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.1299 0.1299
Loa Loa (eye worm) hypothetical protein 0.0051 0.0354 0.0631
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0567 0.0921
Echinococcus granulosus pyruvate kinase 0.0066 0.0519 0.0519
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.1299 0.1299
Echinococcus granulosus pyruvate kinase 0.0034 0.0185 0.0185
Mycobacterium ulcerans hypothetical protein 0.0071 0.0567 0.0921
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0037 0.0067
Echinococcus multilocularis pyruvate kinase 0.0034 0.0185 0.0185
Brugia malayi hypothetical protein 0.025 0.2409 0.4293
Schistosoma mansoni pyruvate kinase 0.0034 0.0185 0.033
Loa Loa (eye worm) hypothetical protein 0.0048 0.0333 0.0594
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0037 0.0067
Brugia malayi ecdysteroid receptor 0.002 0.0037 0.0067
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0037 0.0067
Loa Loa (eye worm) hypothetical protein 0.0038 0.0223 0.0397
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0037 0.0067
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0055 0.0055
Onchocerca volvulus Pyruvate kinase homolog 0.0066 0.0519 0.4258
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0288 0.2798 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0201 0.0446
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0142 0.1299 0.2315
Mycobacterium ulcerans pyruvate kinase 0.0066 0.0519 0.0835
Onchocerca volvulus 0.0071 0.0567 0.4682
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.0567 0.1254
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0055 0.0196
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0037 0.0037
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0037 0.0067
Schistosoma mansoni tar DNA-binding protein 0.0195 0.1841 0.3281
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0055 0.0966
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0037 0.0037
Echinococcus multilocularis neuropeptide receptor A26 0.0986 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 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) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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