Detailed information for compound 1216188

Basic information

Technical information
  • TDR Targets ID: 1216188
  • Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[5- (3-methoxyphenyl)-2H-pyrazol-3-yl]methanone
  • MW: 505.385 | Formula: C21H21BrN4O4S
  • H donors: 1 H acceptors: 4 LogP: 2.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cccc(c1)c1n[nH]c(c1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br
  • InChi: 1S/C21H21BrN4O4S/c1-30-17-4-2-3-15(13-17)19-14-20(24-23-19)21(27)25-9-11-26(12-10-25)31(28,29)18-7-5-16(22)6-8-18/h2-8,13-14H,9-12H2,1H3,(H,23,24)
  • InChiKey: XSIUWUYBFMZSSI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-(4-bromophenyl)sulfonyl-1-piperazinyl]-[5-(3-methoxyphenyl)-2H-pyrazol-3-yl]methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae Probable lipase LipE 0.0038 0.0147 0.0134
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0016 0.0013 0.0013
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0013 0.0013
Plasmodium falciparum pyruvate kinase 2 0.0039 0.0153 0.3849
Mycobacterium ulcerans hypothetical protein 0.0038 0.0147 0.0134
Brugia malayi beta-lactamase family protein 0.0038 0.0147 0.0571
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0147 0.0147
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0166 0.0912 0.1065
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0051 0.0163
Echinococcus multilocularis geminin 0.0338 0.1945 0.2291
Entamoeba histolytica acyl-coA synthetase, putative 0.0054 0.0243 0.5148
Brugia malayi pyruvate kinase 0.0016 0.0014 0.0004
Loa Loa (eye worm) mbt repeat family protein 0.0044 0.018 0.0713
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0051 0.0163
Loa Loa (eye worm) hypothetical protein 0.0053 0.0237 0.0955
Loa Loa (eye worm) hypothetical protein 0.005 0.0217 0.0868
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0051 0.0163
Echinococcus granulosus Niemann Pick C1 protein 0.009 0.0459 0.0529
Schistosoma mansoni pyruvate kinase 0.0076 0.0375 0.0429
Echinococcus multilocularis protein patched 0.0039 0.015 0.0162
Schistosoma mansoni hypothetical protein 0.0037 0.0142 0.0152
Loa Loa (eye worm) hypothetical protein 0.0041 0.0161 0.063
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0163
Loa Loa (eye worm) hypothetical protein 0.0038 0.0147 0.0571
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0051 0.0163
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0163
Schistosoma mansoni coup transcription factor 0.0022 0.0051 0.0045
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.1681 1 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.0147 0.0147
Echinococcus multilocularis expressed conserved protein 0.0085 0.0427 0.049
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.0243 0.023
Schistosoma mansoni hypothetical protein 0.0037 0.0142 0.0152
Trypanosoma cruzi pyruvate kinase 2, putative 0.0076 0.0375 1
Schistosoma mansoni hypothetical protein 0.0037 0.0142 0.0152
Echinococcus multilocularis polycomb protein SCMH1 0.0044 0.018 0.0198
Loa Loa (eye worm) beta-lactamase 0.0038 0.0147 0.0571
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0107 0.0111
Loa Loa (eye worm) hypothetical protein 0.0041 0.0161 0.063
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0147 0.0147
Schistosoma mansoni hypothetical protein 0.0031 0.0107 0.0111
Echinococcus multilocularis GPCR, family 2 0.0031 0.0107 0.0111
Onchocerca volvulus 0.0038 0.0147 0.0571
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0147 0.0147
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.0243 0.023
Schistosoma mansoni sex comb on midleg homolog 0.0044 0.018 0.0198
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0107 0.0111
Schistosoma mansoni patched 1 0.0039 0.015 0.0162
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0013 0.0013
Echinococcus multilocularis microtubule associated protein 2 0.1422 0.8446 1
Toxoplasma gondii ABC1 family protein 0.0038 0.0147 0.0762
Echinococcus granulosus Protein patched homolog 1 0.0039 0.015 0.0162
Onchocerca volvulus 0.0406 0.2354 1
Schistosoma mansoni hypothetical protein 0.0037 0.0142 0.0152
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0051 0.0045
Brugia malayi pyruvate kinase, muscle isozyme 0.0016 0.0014 0.0004
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0051 0.0045
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0172 0.0952 0.1113
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0147 0.0147
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0051 0.0045
Echinococcus granulosus GPCR family 2 0.0031 0.0107 0.0111
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0163
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0163
Trichomonas vaginalis bromodomain-containing protein, putative 0.0049 0.021 0.5436
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0105 0.0545 0.2272
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0147 0.3692
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0051 0.0045
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0105 0.0545 0.0631
Brugia malayi hypothetical protein 0.0406 0.2354 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0129 0.0692 0.0805
Echinococcus granulosus histone acetyltransferase KAT2B 0.0161 0.0884 0.1032
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0051 0.0045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0051 0.0163
Echinococcus multilocularis pyruvate kinase 0.0076 0.0375 0.0429
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0744 0.4379 0.5177
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0051 0.0163
Schistosoma mansoni pyruvate kinase 0.0076 0.0375 0.0429
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0782 0.3285
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0051 0.0045
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0051 0.0163
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0051 0.0045
Mycobacterium tuberculosis Conserved hypothetical protein 0.0308 0.1767 0.1767
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0107 0.0398
Mycobacterium leprae Probable pyruvate kinase PykA 0.0076 0.0375 0.0362
Mycobacterium tuberculosis Conserved protein 0.0038 0.0147 0.0147
Brugia malayi Muscleblind-like protein 0.0158 0.0868 0.3652
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0147 0.0158
Treponema pallidum licC protein (licC) 0.0308 0.1767 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0051 0.0045
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0233 0.026
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0051 0.0045
Schistosoma mansoni eyes absent homolog 0.0101 0.0522 0.0603
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0244 0.1381 0.1381
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0147 0.0134
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.1681 1 1
Chlamydia trachomatis pyruvate kinase 0.0076 0.0375 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0051 0.0045
Toxoplasma gondii pyruvate kinase PyK1 0.0076 0.0375 0.2065
Brugia malayi MH2 domain containing protein 0.0144 0.0782 0.3285
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0147 0.0147
Echinococcus granulosus tumor protein p63 0.0359 0.2068 0.2437
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0107 0.0111
Schistosoma mansoni hypothetical protein 0.0031 0.0107 0.0111
Entamoeba histolytica acyl-CoA synthetase, putative 0.0054 0.0243 0.5148
Brugia malayi hypothetical protein 0.014 0.0758 0.318
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0147 0.3692
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0105 0.0545 0.0631
Giardia lamblia Histone acetyltransferase GCN5 0.0045 0.0186 0.1487
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0051 0.0045
Loa Loa (eye worm) acetyltransferase 0.0166 0.0912 0.3837
Loa Loa (eye worm) hypothetical protein 0.0054 0.0243 0.0981
Loa Loa (eye worm) hypothetical protein 0.0101 0.0522 0.2173
Echinococcus granulosus SAM and MBT domain containing protein 0.0044 0.018 0.0198
Brugia malayi Pyruvate kinase, muscle isozyme 0.0076 0.0375 0.1546
Brugia malayi acetyltransferase, GNAT family protein 0.0166 0.0912 0.3837
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0054 0.0243 0.023
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0147 0.0571
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0051 0.0163
Echinococcus multilocularis Protein lozenge 0.0051 0.0223 0.0249
Loa Loa (eye worm) hypothetical protein 0.0038 0.0147 0.0571
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0147 0.3692
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0049 0.021 0.1122
Trichomonas vaginalis pyruvate kinase, putative 0.0076 0.0375 1
Mycobacterium ulcerans molybdopterin-guanine dinucleotide biosynthesis protein A 0.0308 0.1767 0.1756
Loa Loa (eye worm) pyruvate kinase 0.0076 0.0375 0.1546
Loa Loa (eye worm) hypothetical protein 0.0101 0.0522 0.2173
Toxoplasma gondii pyruvate kinase PyKII 0.0039 0.0153 0.0795
Echinococcus multilocularis pyruvate kinase 0.0039 0.0153 0.0165
Mycobacterium ulcerans pyruvate kinase 0.0076 0.0375 0.0362
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0147 0.0134
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.005 0.0217 0.0241
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.005 0.0217 0.0241
Echinococcus multilocularis Niemann Pick C1 protein 0.009 0.0459 0.0529
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0107 0.0398
Entamoeba histolytica pyruvate kinase, putative 0.0053 0.0237 0.5011
Loa Loa (eye worm) hypothetical protein 0.0406 0.2354 1
Onchocerca volvulus 0.0038 0.0147 0.0571
Schistosoma mansoni hypothetical protein 0.0338 0.1945 0.2291
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0147 0.0147
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0147 0.0147
Echinococcus granulosus Niemann Pick C1 protein 0.0129 0.0692 0.0805
Loa Loa (eye worm) MBCTL1 0.005 0.0217 0.0868
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0105 0.0545 0.2272
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0051 0.0045
Brugia malayi nuclear receptor NHR-88 0.0022 0.0051 0.0163
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0218 0.1225 0.5177
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.015 0.3784
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0038 0.0147 0.0571
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0049 0.021 0.1122
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0054 0.0243 0.0243
Loa Loa (eye worm) hypothetical protein 0.0406 0.2354 1
Schistosoma mansoni hypothetical protein 0.0031 0.0107 0.0111
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0051 0.0045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0051 0.0163
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0166 0.0912 0.1065
Schistosoma mansoni myelin transcription factor 1 myt1 0.005 0.0217 0.0241
Brugia malayi mbt repeat family protein 0.0044 0.018 0.0713
Leishmania major pyruvate kinase 0.0076 0.0375 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0147 0.3692
Brugia malayi Niemann-Pick C1 protein precursor 0.009 0.0459 0.1906
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0147 0.3692
Loa Loa (eye worm) hypothetical protein 0.0038 0.0147 0.0571
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0051 0.0045
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0147 0.0158
Brugia malayi Pyruvate kinase, M2 isozyme 0.0076 0.0375 0.1546
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0.0186 0.4764
Loa Loa (eye worm) pyruvate kinase-PB 0.0053 0.0237 0.0955
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0051 0.0163
Echinococcus granulosus pyruvate kinase 0.0076 0.0375 0.0429
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0051 0.0045
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0051 0.0163
Loa Loa (eye worm) hypothetical protein 0.0054 0.0243 0.0981
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0107 0.0111
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0054 0.0243 0.023
Loa Loa (eye worm) hypothetical protein 0.0041 0.0161 0.063
Mycobacterium ulcerans beta-lactamase 0.0038 0.0147 0.0134
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0044 0.018 0.0713
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0326 0.1334
Loa Loa (eye worm) hypothetical protein 0.0052 0.0233 0.0936
Giardia lamblia Pyruvate kinase 0.0076 0.0375 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0163
Mycobacterium ulcerans hypothetical protein 0.0054 0.0243 0.023
Echinococcus multilocularis SAM and MBT domain containing protein 0.0044 0.018 0.0198
Brugia malayi CHE-14 protein 0.0039 0.015 0.0585
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0051 0.0163
Echinococcus granulosus geminin 0.0338 0.1945 0.2291
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.0243 0.6344
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0147 0.3692
Echinococcus granulosus sterol regulatory element binding protein 0.0039 0.015 0.0162
Schistosoma mansoni pyruvate kinase 0.0039 0.0153 0.0165
Plasmodium vivax pyruvate kinase 2, putative 0.0039 0.0153 0.3849
Loa Loa (eye worm) hypothetical protein 0.009 0.0459 0.1906
Echinococcus multilocularis tumor protein p63 0.0359 0.2068 0.2437
Loa Loa (eye worm) pyruvate kinase 0.0076 0.0375 0.1546
Echinococcus granulosus muscleblind protein 0.0158 0.0868 0.1014
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0054 0.0243 0.0243
Onchocerca volvulus 0.0044 0.018 0.0713
Echinococcus granulosus pyruvate kinase 0.0039 0.0153 0.0165
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0051 0.0163
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.0308 0.1767 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0076 0.0375 1
Echinococcus granulosus pyruvate kinase 0.0039 0.0153 0.0165
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.0545 0.0631
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0051 0.0163
Echinococcus multilocularis pyruvate kinase 0.0039 0.0153 0.0165
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0147 0.0158
Entamoeba histolytica acetyltransferase, GNAT family 0.0045 0.0186 0.3865
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0051 0.0045
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0016 0.0013 0.0013
Echinococcus granulosus microtubule associated protein 2 0.1422 0.8446 1
Brugia malayi N-terminal motif family protein 0.0218 0.1225 0.5177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0051 0.0163
Echinococcus multilocularis histone acetyltransferase MYST2 0.005 0.0217 0.0241
Brugia malayi steroid hormone receptor 0.0022 0.0051 0.0163
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0514 0.214
Loa Loa (eye worm) hypothetical protein 0.0158 0.0868 0.3652
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0051 0.0163
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0054 0.0243 0.023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0051 0.0163
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0051 0.0163
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0172 0.0952 0.1113
Plasmodium falciparum pyruvate kinase 0.0076 0.0375 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0243 0.0981
Onchocerca volvulus 0.0038 0.0147 0.0571
Loa Loa (eye worm) hypothetical protein 0.014 0.0758 0.318
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0163
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0051 0.0163
Onchocerca volvulus Huntingtin homolog 0.014 0.0758 0.318
Trichomonas vaginalis pyruvate kinase, putative 0.0076 0.0375 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0107 0.0398
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0163
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0051 0.0045
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0051 0.0045
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0049 0.021 0.5436
Brugia malayi nuclear hormone receptor 0.0022 0.0051 0.0163
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0051 0.0045
Echinococcus multilocularis pyruvate kinase 0.0076 0.0375 0.0429
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.0545 0.0631
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0041 0.0161 0.0148
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0049 0.021 0.5436
Brugia malayi AMP-binding enzyme family protein 0.0054 0.0243 0.0981
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.0243 0.6344
Loa Loa (eye worm) hypothetical protein 0.0039 0.015 0.0585
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0051 0.0163
Echinococcus granulosus histone acetyltransferase KAT2B 0.0049 0.021 0.0233
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0105 0.0545 0.0631
Echinococcus granulosus pyruvate kinase 0.0039 0.0153 0.0165
Onchocerca volvulus 0.0054 0.0243 0.0981
Trypanosoma cruzi pyruvate kinase 2, putative 0.0076 0.0375 1
Loa Loa (eye worm) runx1 0.0051 0.0223 0.0898
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0016 0.0013 0.0013
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0147 0.3692
Plasmodium vivax acyl-CoA synthetase, putative 0.0041 0.0161 0.4074
Loa Loa (eye worm) hypothetical protein 0.0158 0.0868 0.3652
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0051 0.0045
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.0545 0.0631
Brugia malayi mbt repeat family protein 0.0044 0.018 0.0713
Echinococcus multilocularis muscleblind protein 0.0158 0.0868 0.1014
Onchocerca volvulus 0.0052 0.0233 0.0936
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0051 0.0163
Loa Loa (eye worm) pyruvate kinase 0.0016 0.0014 0.0004
Echinococcus granulosus pyruvate kinase 0.0076 0.0375 0.0429
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0039 0.015 0.0585
Loa Loa (eye worm) hypothetical protein 0.0041 0.0161 0.063
Schistosoma mansoni hypothetical protein 0.0338 0.1945 0.2291
Mycobacterium ulcerans lipase LipD 0.0038 0.0147 0.0134
Mycobacterium ulcerans hypothetical protein 0.0308 0.1767 0.1756
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0054 0.0243 0.023
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0051 0.0045
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0147 0.0147
Loa Loa (eye worm) hypothetical protein 0.0041 0.0161 0.063
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0147 0.0158
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.1681 1 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.0107 0.0111
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0147 0.0147
Loa Loa (eye worm) hypothetical protein 0.0099 0.0514 0.214
Onchocerca volvulus Huntingtin homolog 0.014 0.0758 0.318
Schistosoma mansoni sex comb on midleg homolog 0.0044 0.018 0.0198
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0147 0.0134
Onchocerca volvulus 0.0022 0.0051 0.0163
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0051 0.0163
Echinococcus multilocularis pyruvate kinase 0.0039 0.0153 0.0165
Echinococcus multilocularis muscleblind protein 1 0.0158 0.0868 0.1014
Mycobacterium tuberculosis Conserved hypothetical protein 0.0308 0.1767 0.1767
Brugia malayi ecdysteroid receptor 0.0022 0.0051 0.0163
Loa Loa (eye worm) pyruvate kinase 0.0076 0.0375 0.1546
Plasmodium falciparum acyl-CoA synthetase 0.0041 0.0161 0.4074
Schistosoma mansoni hypothetical protein 0.0266 0.1513 0.1779
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0023 0.0056 0.0183
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0051 0.0163
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.009 0.0459 1
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0051 0.0045
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0051 0.0163
Leishmania major hypothetical protein, conserved 0.0038 0.0147 0.3692
Onchocerca volvulus Pyruvate kinase homolog 0.0076 0.0375 0.1546
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0147 0.0147
Leishmania major pyruvate kinase 0.0076 0.0375 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0051 0.0045
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0016 0.0013 0.0013
Echinococcus granulosus histone acetyltransferase MYST2 0.005 0.0217 0.0241
Echinococcus multilocularis protein dispatched 1 0.0044 0.0183 0.0201
Schistosoma mansoni microtubule-associated protein tau 0.1422 0.8446 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0147 0.3692
Trichomonas vaginalis esterase, putative 0.0038 0.0147 0.3692
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0051 0.0163
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0147 0.0147
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0016 0.0013 0.0013
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0051 0.0045
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0051 0.0045
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0054 0.0243 0.023
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0147 0.3692
Brugia malayi AMP-binding enzyme family protein 0.0054 0.0243 0.0981
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0051 0.0163
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0147 0.0571
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0016 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0076 0.0375 0.1546
Loa Loa (eye worm) hypothetical protein 0.0047 0.0203 0.0808
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0163
Schistosoma mansoni hypothetical protein 0.0068 0.0326 0.037
Brugia malayi hypothetical protein 0.0101 0.0522 0.2173
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.005 0.0217 0.0868
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.1225 0.5177
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0076 0.0375 0.0375
Brugia malayi AMP-binding enzyme family protein 0.0054 0.0243 0.0981
Schistosoma mansoni lozenge 0.0051 0.0223 0.0249
Brugia malayi beta-lactamase 0.0038 0.0147 0.0571
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0782 0.3285
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0051 0.0163
Trypanosoma brucei pyruvate kinase 1 0.0076 0.0375 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0514 0.214
Plasmodium vivax pyruvate kinase, putative 0.0076 0.0375 1
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0051 0.0045
Loa Loa (eye worm) hypothetical protein 0.0044 0.018 0.0713
Onchocerca volvulus Pyruvate kinase homolog 0.0076 0.0375 0.1546
Loa Loa (eye worm) hypothetical protein 0.0068 0.0326 0.1334
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0016 0.0013 0.0013
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0051 0.0045
Brugia malayi beta-lactamase family protein 0.0038 0.0147 0.0571
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0044 0.018 0.0198
Echinococcus granulosus expressed conserved protein 0.0085 0.0427 0.049
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0092 0.0468 0.0539
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0051 0.0045
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.0243 0.6344
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0514 0.214
Echinococcus granulosus polycomb protein SCMH1 0.0044 0.018 0.0198
Echinococcus multilocularis sterol regulatory element binding protein 0.0039 0.015 0.0162
Echinococcus multilocularis pyruvate kinase 0.006 0.0279 0.0315
Mycobacterium ulcerans hypothetical protein 0.0308 0.1767 0.1756
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0051 0.0045
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0054 0.0243 0.023
Loa Loa (eye worm) hypothetical protein 0.0038 0.0147 0.0571
Onchocerca volvulus Pyruvate kinase homolog 0.0076 0.0375 0.1546
Loa Loa (eye worm) hypothetical protein 0.014 0.0758 0.318
Entamoeba histolytica acyl-CoA synthetase, putative 0.0054 0.0243 0.5148
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0041 0.0161 0.0161
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0107 0.0398
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0105 0.0545 0.0631
Mycobacterium tuberculosis Conserved protein 0.0038 0.0147 0.0147
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0051 0.0045
Loa Loa (eye worm) hypothetical protein 0.0038 0.0147 0.0571
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.0243 0.023

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 10.3225 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 15.8489 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (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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