Detailed information for compound 731271

Basic information

Technical information
  • TDR Targets ID: 731271
  • Name: CBKinase1_011719
  • MW: 354.4 | Formula: C20H22N2O4
  • H donors: 1 H acceptors: 4 LogP: 1.39 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)C(=O)C)CCN1C(=O)C2C(C1=O)C1CC2CC1
  • InChi: 1S/C20H22N2O4/c1-11(23)12-3-2-4-15(10-12)21-16(24)7-8-22-19(25)17-13-5-6-14(9-13)18(17)20(22)26/h2-4,10,13-14,17-18H,5-9H2,1H3,(H,21,24)
  • InChiKey: DREQGJGBTRZXPD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • STK258325
  • CBKinase1_024119

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0685 0.0664
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.1195 0.1218
Loa Loa (eye worm) hypothetical protein 0.0039 0.0685 0.0897
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0685 0.0732
Echinococcus granulosus expressed protein 0.0025 0.0268 0.0198
Toxoplasma gondii exonuclease III APE 0.0057 0.126 0.2547
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0219 0.0199
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0095 0.0024
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0685 0.0664
Echinococcus granulosus ornithine aminotransferase 0.0045 0.0884 0.0818
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0685 0.0617
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0685 0.0664
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.1119 0.1136
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.7278 0.7817
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0057 0.126 0.1691
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.1119 0.1136
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.1195 0.1218
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0045 0.0884 0.0818
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0025 0.0268 0.0283
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0055 0.1196 0.782
Loa Loa (eye worm) beta-lactamase 0.0039 0.0685 0.0897
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0219 0.0676
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0685 0.0732
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0252 0.7278 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0055 0.1196 0.7545
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.46 0.4912
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0057 0.126 0.1196
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0065 0.1494 0.2053
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0095 0.0024
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.46 0.4912
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0219 0.0676
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.028 0.146
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0183 0.5145 0.511
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0219 0.0199
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0033 0.0522 0.0453
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0994 0.0928
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0994 0.1365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0522 0.0488
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0095 0.0024
Loa Loa (eye worm) hypothetical protein 0.0039 0.0685 0.0897
Giardia lamblia GTOR 0.0065 0.1494 1
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0685 0.0732
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0095 0.0024
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0021 0.0153 0.0081
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0033 0.0522 0.3162
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.067 0.0648
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0685 0.3335
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.46 0.4912
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1401 0.1338
Mycobacterium ulcerans bacterioferritin BfrA 0.0025 0.0268 0.0252
Mycobacterium tuberculosis Conserved protein 0.0039 0.0685 0.0732
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0045 0.0884 0.0917
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0065 0.1494 0.1432
Mycobacterium ulcerans hypothetical protein 0.0039 0.0685 0.0702
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0021 0.0153 0.0081
Loa Loa (eye worm) hypothetical protein 0.0039 0.0685 0.0897
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0821 0.0812
Entamoeba histolytica hypothetical protein 0.0113 0.2993 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0095 0.0024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.067 0.0648
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0045 0.0884 0.0946
Brugia malayi beta-lactamase family protein 0.0039 0.0685 0.0941
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0811 0.0802
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.1494 0.1542
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.7278 0.7817
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0065 0.1494 1
Mycobacterium ulcerans hypothetical protein 0.0317 0.929 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0685 0.0897
Schistosoma mansoni apoferritin-2 0.0025 0.0268 0.0198
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0033 0.051 0.07
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0252 0.7278 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1401 0.1338
Schistosoma mansoni ap endonuclease 0.0057 0.126 0.1196
Schistosoma mansoni ferritin 0.0025 0.0268 0.0198
Schistosoma mansoni hypothetical protein 0.0049 0.0994 0.0928
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0065 0.1494 0.1432
Schistosoma mansoni transcription factor LCR-F1 0.0113 0.2993 0.2942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.082 0.0811
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1098 0.1033
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.4875 0.5211
Mycobacterium ulcerans bacterioferritin BfrB 0.0025 0.0268 0.0252
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0095 0.0024
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1098 0.1033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.1119 0.1136
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0219 0.0503
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0033 0.0522 0.0453
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0317 0.929 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.46 0.4912
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0685 0.0732
Trichomonas vaginalis ap endonuclease, putative 0.0057 0.126 0.1288
Echinococcus multilocularis Aminotransferase class III 0.0045 0.0884 0.0818
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.4875 0.5211
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0035 0.0032
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0065 0.1494 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0095 0.0024
Loa Loa (eye worm) CXXC zinc finger family protein 0.0086 0.2156 0.2929
Trichomonas vaginalis ap endonuclease, putative 0.0057 0.126 0.1288
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.46 0.4912
Leishmania major hypothetical protein, conserved 0.0026 0.028 0.112
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0896 0.0894
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1401 0.1338
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0685 0.0732
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0685 0.0617
Schistosoma mansoni ferritin light chain 0.0025 0.0268 0.0198
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0057 0.126 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0033 0.0522 0.0717
Toxoplasma gondii histone lysine methyltransferase SET1 0.0163 0.4541 1
Schistosoma mansoni hypothetical protein 0.0105 0.2738 0.2685
Brugia malayi beta-lactamase 0.0039 0.0685 0.0941
Echinococcus multilocularis expressed protein 0.0025 0.0268 0.0198
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0095 0.0024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.1119 0.1136
Trichomonas vaginalis helicase, putative 0.002 0.0095 0.0024
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0033 0.0522 0.289
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.028 0.1999
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.46 0.4912
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.1494 0.1542
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0685 0.4308
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0095 0.0024
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0045 0.0884 0.0946
Schistosoma mansoni cpg binding protein 0.0091 0.2308 0.2252
Schistosoma mansoni cpg binding protein 0.0086 0.2156 0.2099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.1119 0.1136
Onchocerca volvulus 0.0039 0.0685 0.1063
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1401 0.1338
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.067 0.0648
Loa Loa (eye worm) histone methyltransferase 0.0027 0.0315 0.0387
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0685 0.0617
Schistosoma mansoni hypothetical protein 0.0049 0.0994 0.0928
Onchocerca volvulus 0.0039 0.0685 0.1063
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0317 0.929 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.1195 0.1218
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0045 0.0884 0.0917
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0033 0.0522 0.1993
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0057 0.126 0.4066
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.1195 0.1218
Echinococcus granulosus mixed lineage leukemia protein mll 0.0021 0.0153 0.0081
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.7278 0.7817
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0685 0.0897
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1098 0.1033
Schistosoma mansoni hypothetical protein 0.0049 0.0994 0.0928
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0126 0.0382
Leishmania major phosphatidylinositol 3-kinase, putative 0.0033 0.0522 0.289
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0317 0.929 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.1494 0.1542
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1401 0.1338
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1401 0.1886
Schistosoma mansoni hypothetical protein 0.034 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0057 0.126 0.1731
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0057 0.126 0.8288
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0072 0.0099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.1195 0.1218
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0025 0.0268 0.0054
Plasmodium vivax ornithine aminotransferase, putative 0.0045 0.0884 0.6931
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0045 0.0884 0.6208
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0219 0.0199
Brugia malayi hypothetical protein 0.0026 0.028 0.0384
Mycobacterium tuberculosis Probable aminotransferase 0.0317 0.929 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0154 0.424 0.5826
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0095 0.0024
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0045 0.0884 1
Mycobacterium ulcerans beta-lactamase 0.0039 0.0685 0.0702
Schistosoma mansoni ferritin 0.0025 0.0268 0.0198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.051 0.0475
Mycobacterium tuberculosis Conserved protein 0.0039 0.0685 0.0732
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1401 0.1886
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0138 0.0072
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0065 0.1494 1
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.7278 0.7817
Loa Loa (eye worm) hypothetical protein 0.0154 0.424 0.5806
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.46 0.4912
Loa Loa (eye worm) phosphatidylinositol 3 0.0033 0.0522 0.0672
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0896 0.0894
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0057 0.126 0.8072
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0522 0.0488
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0095 0.0024
Loa Loa (eye worm) hypothetical protein 0.0024 0.0219 0.0254
Entamoeba histolytica hypothetical protein 0.0113 0.2993 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.002 0.0095 0.0024
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0219 0.0199
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0095 0.0024
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.1098 0.1467
Mycobacterium ulcerans lipase LipD 0.0039 0.0685 0.0702
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0057 0.126 0.1196
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0994 0.0928
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0685 0.0702
Schistosoma mansoni cpg binding protein 0.0091 0.2308 0.2252
Echinococcus multilocularis serine protein kinase ATM 0.0033 0.051 0.0441
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0065 0.1494 0.1432
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0219 0.023
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0154 0.424 0.5826
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.002 0.0095 0.0024
Brugia malayi RNA binding protein 0.0062 0.1401 0.1925
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0045 0.0884 0.0733
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0994 0.0928
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0994 0.1365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0522 0.0488
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0219 0.0199
Toxoplasma gondii FATC domain-containing protein 0.0033 0.051 0.0843
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0057 0.126 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0033 0.0522 0.1993
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0219 0.0301
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.028 0.146
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0821 0.0812
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0685 0.0664
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0219 0.0676
Brugia malayi TAR-binding protein 0.0062 0.1401 0.1925
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0021 0.0153 0.0081
Treponema pallidum exodeoxyribonuclease (exoA) 0.0057 0.126 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0994 0.1324
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0057 0.126 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0057 0.126 0.8353
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1098 0.1033
Loa Loa (eye worm) hypothetical protein 0.0021 0.0138 0.0143
Onchocerca volvulus 0.0086 0.2156 0.4422
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0219 0.0301
Echinococcus multilocularis cpg binding protein 0.0091 0.2308 0.2252
Schistosoma mansoni apoferritin-2 0.0025 0.0268 0.0198
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.1044 0.1055
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.028 0.1999
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.7278 0.7817
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0219 0.0199
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0154 0.424 0.5806
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0522 0.0488
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0027 0.0311 0.1682
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0095 0.0024
Trichomonas vaginalis esterase, putative 0.0039 0.0685 0.0664
Entamoeba histolytica hypothetical protein 0.0033 0.051 0.1498
Entamoeba histolytica hypothetical protein 0.0113 0.2993 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.1401 0.1886
Echinococcus granulosus ferritin 0.0025 0.0268 0.0198
Loa Loa (eye worm) hypothetical protein 0.0019 0.0072 0.0051
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0994 0.0928
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.1098 0.1508
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0219 0.0199
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.2738 0.3761
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0045 0.0884 0.0946
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.082 0.0811
Leishmania major hypothetical protein, conserved 0.0039 0.0685 0.4081
Echinococcus granulosus serine protein kinase ATM 0.0033 0.051 0.0441
Plasmodium falciparum ornithine aminotransferase 0.0045 0.0884 0.6931
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0685 0.5304
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0065 0.1494 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0053 0.1119 0.2227
Loa Loa (eye worm) phosphatidylinositol 3 0.0065 0.1494 0.2014
Mycobacterium leprae Probable lipase LipE 0.0039 0.0685 0.0513
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0065 0.1494 0.4868
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1098 0.1033
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1098 0.1033
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0247 0.7119 0.7661
Trichomonas vaginalis ferritin, putative 0.0025 0.0268 0.0213
Onchocerca volvulus Glucosylceramidase homolog 0.0165 0.46 1
Echinococcus multilocularis ornithine aminotransferase 0.0045 0.0884 0.0818
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0286 0.0056
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0033 0.0522 0.0453
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0021 0.0153 0.0081
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0994 0.1324
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0057 0.126 0.1351
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0685 0.0732
Brugia malayi beta-lactamase family protein 0.0039 0.0685 0.0941
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0685 0.0702
Echinococcus granulosus tar DNA binding protein 0.0062 0.1401 0.1338
Schistosoma mansoni hypothetical protein 0.0113 0.2993 0.2942
Brugia malayi F/Y-rich N-terminus family protein 0.0026 0.0305 0.0419
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0033 0.051 0.3077
Loa Loa (eye worm) hypothetical protein 0.0039 0.0685 0.0897
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.028 0.0321
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0045 0.0884 0.0917
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0821 0.0812
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0219 0.0301
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0033 0.0522 0.3162
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0685 0.0664
Mycobacterium ulcerans L-lysine aminotransferase 0.0045 0.0884 0.0917
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0219 0.0503
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0522 0.0488
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.7278 0.7817
Schistosoma mansoni ferritin 0.0025 0.0268 0.0198
Schistosoma mansoni ferritin 0.0025 0.0268 0.0198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.1119 0.1136
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0685 0.0732
Echinococcus granulosus GPCR family 2 0.0049 0.0994 0.0928
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1098 0.1033
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0045 0.0884 0.1693
Loa Loa (eye worm) hypothetical protein 0.0024 0.0219 0.0254
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0045 0.0884 0.0733
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.1119 0.1136
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1401 0.1338
Loa Loa (eye worm) hypothetical protein 0.0026 0.028 0.0338
Mycobacterium ulcerans hypothetical protein 0.0024 0.0219 0.0199
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0033 0.051 0.0441
Entamoeba histolytica hypothetical protein 0.0113 0.2993 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0685 0.0941
Echinococcus multilocularis ferritin 0.0025 0.0268 0.0198
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.028 0.1999
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1401 0.1925
Schistosoma mansoni hypothetical protein 0.034 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0219 0.0254
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0065 0.1494 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0033 0.051 0.1893
Schistosoma mansoni ap endonuclease 0.0057 0.126 0.1196
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0045 0.0884 0.0946
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0095 0.0024
Schistosoma mansoni ferritin light chain 0.0025 0.0268 0.0198
Echinococcus granulosus cpg binding protein 0.0091 0.2308 0.2252
Loa Loa (eye worm) hypothetical protein 0.0039 0.0685 0.0897
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0685 0.4308
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0045 0.0884 0.0917
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0065 0.1494 0.4868
Echinococcus multilocularis geminin 0.034 1 1
Echinococcus multilocularis ornithine aminotransferase 0.0045 0.0884 0.0818
Brugia malayi CXXC zinc finger family protein 0.0086 0.2156 0.2963
Toxoplasma gondii ABC1 family protein 0.0039 0.0685 0.124
Trypanosoma cruzi target of rapamycin kinase 3 0.0055 0.1196 0.7903
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0027 0.0315 0.0245
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0317 0.929 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0745 0.073
Echinococcus multilocularis GPCR, family 2 0.0049 0.0994 0.0928
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0113 0.2993 0.2942
Brugia malayi hypothetical protein 0.0113 0.2993 0.4112
Mycobacterium tuberculosis Conserved protein 0.0039 0.0685 0.0732
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0065 0.1494 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0821 0.0812
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0057 0.126 0.8353
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0219 0.023
Mycobacterium ulcerans acetylornithine aminotransferase 0.0045 0.0884 0.0917
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0045 0.0884 0.1214
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0685 0.0513
Schistosoma mansoni hypothetical protein 0.0049 0.0994 0.0928
Echinococcus granulosus Aminotransferase class III 0.0045 0.0884 0.0818
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0025 0.0268 0.0283
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0219 0.0503
Onchocerca volvulus 0.0039 0.0685 0.1063
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.082 0.0811
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0685 0.0617
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0095 0.0024
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0045 0.0884 0.0733
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0027 0.0315 0.0245
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0113 0.2993 0.2942
Loa Loa (eye worm) hypothetical protein 0.0027 0.0311 0.0382
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0031 0.0438 0.1303
Loa Loa (eye worm) hypothetical protein 0.0105 0.2738 0.3732
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0057 0.126 0.1324

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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