Detailed information for compound 1289875

Basic information

Technical information
  • TDR Targets ID: 1289875
  • Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,2-di(phe nyl)acetamide
  • MW: 309.386 | Formula: C17H15N3OS
  • H donors: 1 H acceptors: 3 LogP: 3.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(c1ccccc1)c1ccccc1)Nc1nnc(s1)C
  • InChi: 1S/C17H15N3OS/c1-12-19-20-17(22-12)18-16(21)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3,(H,18,20,21)
  • InChiKey: ZHKWAQVPDVLTLL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,2-di(phenyl)ethanamide
  • IVK/8177469
  • ZINC03334495
  • Oprea1_627851

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Schistosoma mansoni smad1 5 8 and 0.0009 0.0147 0.0203
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.4647 0.5301
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0661 0.0754
Echinococcus granulosus tar DNA binding protein 0.0149 0.5206 0.778
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.3294 0.4887
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0413 0.0389
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1389 1
Onchocerca volvulus 0.0023 0.0661 0.0599
Loa Loa (eye worm) hypothetical protein 0.0017 0.0448 0.0511
Echinococcus multilocularis tar DNA binding protein 0.0149 0.5206 0.778
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0181 0.0175
Brugia malayi beta-lactamase family protein 0.0043 0.1389 0.1585
Loa Loa (eye worm) hypothetical protein 0.0017 0.0448 0.0511
Brugia malayi brahma associated protein 60 kDa 0.0025 0.071 0.081
Schistosoma mansoni RNA binding protein 0.0009 0.0135 0.0186
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1389 1
Echinococcus multilocularis geminin 0.019 0.6672 1
Entamoeba histolytica hypothetical protein 0.0042 0.1322 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.1051 0.1492
Loa Loa (eye worm) hypothetical protein 0.0038 0.1196 0.1365
Loa Loa (eye worm) hypothetical protein 0.0007 0.0065 0.0075
Trypanosoma cruzi WLM domain containing protein, putative 0.0009 0.0135 0.0528
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0661 0.4497
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0661 0.0641
Trypanosoma brucei hypothetical protein, conserved 0.0009 0.0135 0.0528
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.1121 0.1597
Echinococcus granulosus smad 0.0009 0.0147 0.0123
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.2031 0.3031
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0025 0.071 0.0976
Loa Loa (eye worm) hypothetical protein 0.0056 0.1834 0.2093
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0119 0.0081
Loa Loa (eye worm) hypothetical protein 0.0043 0.1389 0.1585
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1389 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0135 0.0154
Loa Loa (eye worm) hypothetical protein 0.0043 0.1389 0.1585
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1389 0.2004
Echinococcus granulosus SWI:SNF matrix associated 0.0025 0.071 0.0976
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0119 0.0081
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0025 0.071 0.0976
Onchocerca volvulus 0.0025 0.071 0.0649
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0065 0.0075
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.3294 0.4887
Loa Loa (eye worm) hypothetical protein 0.0017 0.0448 0.0511
Schistosoma mansoni hypothetical protein 0.0018 0.0456 0.0667
Schistosoma mansoni hypothetical protein 0.0018 0.0456 0.0667
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0065 0.0075
Loa Loa (eye worm) hypothetical protein 0.0023 0.0661 0.0754
Brugia malayi hypothetical protein 0.0042 0.1322 0.1508
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0248 0.8767 1
Chlamydia trachomatis SWIB complex protein 0.0025 0.071 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0456 0.052
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0661 0.4497
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.1389 0.1382
Echinococcus multilocularis GPCR, family 2 0.0018 0.0456 0.0591
Brugia malayi YY1-associated factor 2 0.0009 0.0135 0.0154
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0009 0.0135 0.0528
Loa Loa (eye worm) hypothetical protein 0.0017 0.0448 0.0511
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.3294 0.3758
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0147 0.0168
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0456 0.0591
Echinococcus granulosus cpg binding protein 0.003 0.0897 0.1259
Schistosoma mansoni hypothetical protein 0.0018 0.0456 0.0667
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.1834 0.2093
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.0135 0.0528
Plasmodium vivax SET domain protein, putative 0.0036 0.1121 0.7971
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0065 0.0035
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0456 0.052
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0025 0.071 0.3719
Leishmania major hypothetical protein, conserved 0.0043 0.1389 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1389 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0065 0.0035
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0025 0.071 0.081
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.3294 0.4887
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.1121 0.1597
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0839 0.0957
Schistosoma mansoni tar DNA-binding protein 0.0149 0.5206 0.7798
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0413 0.0389
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0065 0.0075
Echinococcus granulosus Smad4 0.0009 0.0147 0.0123
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0147 0.0123
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0065 0.0075
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0065 0.0075
Schistosoma mansoni hypothetical protein 0.0025 0.071 0.1049
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0448 0.5929
Brugia malayi Pre-SET motif family protein 0.0036 0.1121 0.1278
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0009 0.0135 0.0154
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0065 0.0016
Brugia malayi SWIB/MDM2 domain containing protein 0.0025 0.071 0.081
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.9857 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0147 0.0123
Loa Loa (eye worm) hypothetical protein 0.0009 0.0135 0.0154
Brugia malayi CXXC zinc finger family protein 0.0028 0.0839 0.0957
Schistosoma mansoni Smad4 0.0009 0.0147 0.0203
Onchocerca volvulus 0.0009 0.0135 0.007
Schistosoma mansoni tar DNA-binding protein 0.0149 0.5206 0.7798
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1389 0.1347
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0009 0.0135 0.0154
Schistosoma mansoni hypothetical protein 0.019 0.6672 1
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.4647 0.5301
Echinococcus multilocularis Smad4 0.0009 0.0147 0.0123
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0065 0.0075
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0661 0.0641
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0661 0.4497
Mycobacterium leprae Probable lipase LipE 0.0043 0.1389 1
Onchocerca volvulus 0.0009 0.0135 0.007
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0661 0.4497
Brugia malayi brahma associated protein 60 kDa 0.0025 0.071 0.081
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0456 0.0591
Brugia malayi RNA binding protein 0.0149 0.5206 0.5938
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.1121 0.1665
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0009 0.0135 0.0528
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0661 0.4497
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0119 0.0081
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.1322 0.1902
Loa Loa (eye worm) hypothetical protein 0.0023 0.0661 0.0754
Trypanosoma cruzi WLM domain containing protein, putative 0.0009 0.0135 0.0528
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.3294 0.4929
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0009 0.0135 0.0403
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1389 0.1585
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0009 0.0135 0.0528
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1389 1
Schistosoma mansoni cpg binding protein 0.0028 0.0839 0.1242
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0009 0.0135 0.0154
Brugia malayi MH1 domain containing protein 0.0009 0.0147 0.0168
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.1389 0.1382
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0661 0.4737
Leishmania major hypothetical protein, conserved 0.0009 0.0135 0.0528
Brugia malayi beta-lactamase family protein 0.0043 0.1389 0.1585
Brugia malayi TAR-binding protein 0.0149 0.5206 0.5938
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.1389 0.1382
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0456 0.0591
Mycobacterium tuberculosis Conserved protein 0.0043 0.1389 0.1382
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0009 0.0135 0.0528
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.1389 0.1382
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1389 0.2069
Echinococcus granulosus ring and YY1 binding protein 0.0009 0.0135 0.0106
Schistosoma mansoni hypothetical protein 0.0038 0.1196 0.1779
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.1322 0.1902
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0009 0.0135 0.0106
Echinococcus granulosus geminin 0.019 0.6672 1
Echinococcus granulosus zinc finger protein Ran binding 0.0009 0.0135 0.0106
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.3294 0.4929
Loa Loa (eye worm) brahma associated protein 0.0025 0.071 0.081
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1389 1
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0065 0.0075
Brugia malayi MH1 domain containing protein 0.0009 0.0147 0.0168
Echinococcus granulosus GPCR family 2 0.0018 0.0456 0.0591
Onchocerca volvulus 0.0043 0.1389 0.1333
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0025 0.071 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0009 0.0135 0.0528
Loa Loa (eye worm) hypothetical protein 0.0023 0.0661 0.0754
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0065 0.0035
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0456 0.052
Mycobacterium ulcerans lipase LipD 0.0043 0.1389 1
Schistosoma mansoni brg-1 associated factor 0.0025 0.071 0.1049
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0009 0.0135 0.0154
Loa Loa (eye worm) hypothetical protein 0.0043 0.1389 0.1585
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0147 0.0123
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.1834 0.2093
Entamoeba histolytica hypothetical protein 0.0042 0.1322 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0065 0.0035
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.1121 0.1665
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.1389 0.1382
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0661 0.4497
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0009 0.0135 0.0528
Loa Loa (eye worm) histone methyltransferase 0.001 0.0181 0.0206
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.3294 0.4929
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0413 0.0389
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.1121 0.1665
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0147 0.0203
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0661 0.0754
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1389 0.1347
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0147 0.0123
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1389 1
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.0135 0.0528
Loa Loa (eye worm) hypothetical protein 0.0009 0.0135 0.0154
Loa Loa (eye worm) hypothetical protein 0.0009 0.0135 0.0154
Echinococcus granulosus Zinc finger RanBP2 type 0.0009 0.0135 0.0106
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0661 0.4497
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0448 0.2888
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0448 0.2888
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.3294 0.3758
Schistosoma mansoni fusion 0.0009 0.0135 0.0186
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0661 0.4737
Loa Loa (eye worm) beta-lactamase 0.0043 0.1389 0.1585
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0177 0.0202
Loa Loa (eye worm) RNA binding protein 0.0149 0.5206 0.5938
Schistosoma mansoni tar DNA-binding protein 0.0149 0.5206 0.7798
Schistosoma mansoni hypothetical protein 0.019 0.6672 1
Leishmania major hypothetical protein, conserved 0.0009 0.0135 0.0528
Loa Loa (eye worm) hypothetical protein 0.0007 0.0065 0.0075
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0147 0.0168
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1389 0.2069
Schistosoma mansoni hypothetical protein 0.0025 0.071 0.1049
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0661 0.4497
Loa Loa (eye worm) hypothetical protein 0.0043 0.1389 0.1585
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0119 0.0081
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0661 0.4737
Schistosoma mansoni tar DNA-binding protein 0.0149 0.5206 0.7798
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0065 0.0035
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1389 0.1347
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.1121 0.6086
Mycobacterium tuberculosis Conserved protein 0.0043 0.1389 0.1382
Schistosoma mansoni zinc finger protein 0.0009 0.0135 0.0186
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0065 0.0035
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0661 0.4497
Entamoeba histolytica hypothetical protein 0.0042 0.1322 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.1389 0.1382
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0065 0.0035
Schistosoma mansoni smad1 5 8 and 0.0009 0.0147 0.0203
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.1121 0.1665
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0065 0.0016
Schistosoma mansoni hypothetical protein 0.0009 0.0135 0.0186
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0661 0.0754
Echinococcus multilocularis cpg binding protein 0.003 0.0897 0.1259
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0413 0.0389
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.0135 0.0528
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0025 0.071 0.487
Echinococcus multilocularis SWI:SNF matrix associated 0.0025 0.071 0.0976
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1389 0.1585
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0009 0.0135 0.0106
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0456 0.0591
Mycobacterium ulcerans beta-lactamase 0.0043 0.1389 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0661 0.4497
Onchocerca volvulus 0.0009 0.0135 0.007
Loa Loa (eye worm) Smad1 0.0009 0.0147 0.0168
Onchocerca volvulus 0.0028 0.0839 0.0779
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0009 0.0135 0.1085
Toxoplasma gondii ABC1 family protein 0.0043 0.1389 0.7636
Schistosoma mansoni cpg binding protein 0.003 0.0897 0.133
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.071 0.0664
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.1834 0.2093
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0009 0.0135 0.007
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1389 0.1347
Echinococcus multilocularis smad 0.0009 0.0147 0.0123
Brugia malayi Pre-SET motif family protein 0.0248 0.8767 1
Echinococcus multilocularis ring and YY1 binding protein 0.0009 0.0135 0.0106
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.1322 0.1968
Leishmania major hypothetical protein, conserved 0.0009 0.0135 0.0528
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0025 0.071 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0448 0.0511
Mycobacterium ulcerans hypothetical protein 0.0043 0.1389 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1389 0.2004
Schistosoma mansoni tar DNA-binding protein 0.0149 0.5206 0.7798
Trypanosoma brucei hypothetical protein, conserved 0.0009 0.0135 0.0528
Onchocerca volvulus 0.0043 0.1389 0.1333
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0065 0.0035
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.3294 0.4887
Onchocerca volvulus 0.0009 0.0135 0.007
Schistosoma mansoni TRABID protein (C64 family) 0.0009 0.0135 0.0186
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0661 0.4497
Brugia malayi MH2 domain containing protein 0.0009 0.0147 0.0168
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0009 0.0135 0.0528
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0009 0.0135 0.0106
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.1121 0.1597
Chlamydia trachomatis DNA topoisomerase I 0.0025 0.071 1
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0065 0.0081
Brugia malayi MH2 domain containing protein 0.0134 0.4647 0.5301
Plasmodium vivax hypothetical protein, conserved 0.0025 0.071 0.487
Brugia malayi RNA recognition motif domain containing protein 0.0149 0.5206 0.5938
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0181 0.0175
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.1389 0.1382
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.1799 1
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0065 0.0035
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0065 0.0035
Schistosoma mansoni smad 0.0009 0.0147 0.0203
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.1389 0.1382
Loa Loa (eye worm) hypothetical protein 0.0043 0.1389 0.1585
Brugia malayi beta-lactamase 0.0043 0.1389 0.1585
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.1196 0.1365
Schistosoma mansoni smad1 5 8 and 0.0009 0.0147 0.0203
Leishmania major hypothetical protein, conserved 0.0009 0.0135 0.0528
Loa Loa (eye worm) hypothetical protein 0.0009 0.0135 0.0154
Brugia malayi MH2 domain containing protein 0.0009 0.0147 0.0168
Trichomonas vaginalis esterase, putative 0.0043 0.1389 0.1347
Loa Loa (eye worm) TAR-binding protein 0.0149 0.5206 0.5938
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0661 0.4497
Mycobacterium ulcerans hypothetical protein 0.0023 0.0661 0.4497
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0149 0.5206 0.5938
Entamoeba histolytica hypothetical protein 0.0042 0.1322 1
Echinococcus multilocularis zinc finger protein Ran binding 0.0009 0.0135 0.0106
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0065 0.0075
Schistosoma mansoni hypothetical protein 0.0018 0.0456 0.0667
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0448 0.0424
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0065 0.0035
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0025 0.071 0.3719
Onchocerca volvulus 0.0036 0.1121 0.1062
Leishmania major hypothetical protein, conserved 0.0009 0.0135 0.0528
Echinococcus multilocularis SWI:SNF matrix associated 0.0025 0.071 0.0976
Toxoplasma gondii ran binding protein 0.0009 0.0135 0.0403
Loa Loa (eye worm) hypothetical protein 0.0036 0.1121 0.1278
Schistosoma mansoni hypothetical protein 0.0025 0.071 0.1049
Brugia malayi Smad1 0.0009 0.0147 0.0168
Schistosoma mansoni cpg binding protein 0.003 0.0897 0.133
Schistosoma mansoni hypothetical protein 0.0042 0.1322 0.1968
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0119 0.0161
Loa Loa (eye worm) oxidoreductase 0.0007 0.0065 0.0075
Onchocerca volvulus 0.0043 0.1389 0.1333
Echinococcus multilocularis SWI:SNF matrix associated 0.0025 0.071 0.0976
Loa Loa (eye worm) hypothetical protein 0.0018 0.0456 0.052
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1389 0.1347
Loa Loa (eye worm) hypothetical protein 0.0043 0.1389 0.1585

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No 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 for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) 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
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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