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

Hover on a compound node to display the structore

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
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) transcription factor SMAD2 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) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.