Detailed information for compound 372651

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.519 | Formula: C19H22N2O4S2
  • H donors: 3 H acceptors: 4 LogP: 2.43 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: SCCC(C(=O)N[C@@H](C(=O)O)Cc1ccccc1)NC(=O)Cc1ccsc1
  • InChi: 1S/C19H22N2O4S2/c22-17(11-14-7-9-27-12-14)20-15(6-8-26)18(23)21-16(19(24)25)10-13-4-2-1-3-5-13/h1-5,7,9,12,15-16,26H,6,8,10-11H2,(H,20,22)(H,21,23)(H,24,25)/t15?,16-/m1/s1
  • InChiKey: AXSIACOWQZYXSH-OEMAIJDKSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major 4-coumarate:coa ligase-like protein 0.0039 0.0194 0.0564
Brugia malayi Cytochrome P450 family protein 0.0051 0.0278 0.1686
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0011 0.0011 0.0017
Trypanosoma brucei glucose transporter 1E 0.0021 0.0072 0.4435
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0072 0.0077
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.002 0.007 0.0294
Schistosoma mansoni hypothetical protein 0.0036 0.0172 0.0441
Schistosoma mansoni cytochrome P450 0.0014 0.003 0.0053
Mycobacterium ulcerans integral membrane transporter 0.0032 0.0149 0.0174
Echinococcus granulosus histone acetyltransferase KAT2B 0.0039 0.0195 0.0506
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.028
Leishmania major cytochrome p450-like protein 0.0014 0.003 0.0059
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0039 0.0194 0.0306
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0087 0.0096
Toxoplasma gondii protein kinase, putative 0.0188 0.1189 1
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0023 0.009 0.5738
Schistosoma mansoni glucose transport protein 0.0066 0.0378 0.1006
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0087 0.0375
Echinococcus granulosus lipoxygenase domain containing protein 0.0155 0.097 0.2626
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0011 0.0011 0.0017
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0132 0.8742
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0014 0.003 0.1453
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0011 0.0011 0.0017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0236 0.0617
Brugia malayi acetyltransferase, GNAT family protein 0.0133 0.0822 0.5119
Plasmodium falciparum hexose transporter 0.0066 0.0378 0.2033
Loa Loa (eye worm) hypothetical protein 0.0029 0.0129 0.0581
Loa Loa (eye worm) hypothetical protein 0.0155 0.097 0.4726
Leishmania major 4-coumarate:coa ligase-like protein 0.0039 0.0194 0.0564
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0015 0.0033 0.007
Trichomonas vaginalis conserved hypothetical protein 0.1205 0.798 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0961 0.6354 1
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.002 0.007 0.0507
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0011 0.0011 0.0017
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0023 0.009 0.067
Plasmodium falciparum lysine--tRNA ligase 0.0015 0.0033 0.0126
Plasmodium falciparum calcium-dependent protein kinase 2 0.002 0.007 0.033
Loa Loa (eye worm) hypothetical protein 0.0178 0.1123 0.5479
Plasmodium vivax multidomain scavenger receptor, putative 0.0155 0.097 0.5306
Mycobacterium leprae Conserved hypothetical protein 0.0014 0.003 0.0059
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0059 0.0326 0.0863
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0039 0.0195 0.0232
Loa Loa (eye worm) TK/INSR protein kinase 0.0129 0.0795 0.3864
Schistosoma mansoni importin beta-1 0.003 0.0132 0.0331
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0014 0.003 0.0047
Schistosoma mansoni glucose transport protein 0.0066 0.0378 0.1006
Echinococcus granulosus lysyl tRNA synthetase 0.0015 0.0033 0.0062
Loa Loa (eye worm) hypothetical protein 0.0039 0.0194 0.0905
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.002 0.007 0.0163
Mycobacterium ulcerans acyl-CoA synthetase 0.0039 0.0194 0.023
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0014 0.003 0.0047
Onchocerca volvulus 0.0039 0.0194 0.1444
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0236 0.0617
Trypanosoma brucei glucose transporter, putative 0.0021 0.0072 0.4435
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0011 0.0011 0.0076
Brugia malayi lysyl-tRNA synthetase 0.0015 0.0033 0.0144
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0014 0.003 0.0047
Mycobacterium ulcerans hypothetical protein 0.0107 0.0651 0.0803
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0014 0.003 0.0024
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0015 0.0033 0.1709
Trypanosoma brucei THT1 - hexose transporter, putative 0.0021 0.0072 0.4435
Entamoeba histolytica Ran family GTPase 0.0022 0.0079 0.0211
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0013 0.0018 0.0029
Brugia malayi hypothetical protein 0.0013 0.002 0.006
Entamoeba histolytica acyl-CoA synthetase, putative 0.0039 0.0194 0.0564
Trypanosoma cruzi hexose transporter, putative 0.0021 0.0072 0.4477
Brugia malayi cytochrome P450 0.0014 0.003 0.0121
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0013 0.0018 0.0029
Onchocerca volvulus 0.0202 0.1282 1
Brugia malayi Cytochrome P450 family protein 0.0023 0.0087 0.048
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0129 0.0795 0.2147
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.028
Trichomonas vaginalis conserved hypothetical protein 0.1205 0.798 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0107 0.0652 0.3546
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0011 0.0011 0.0017
Schistosoma mansoni ran 0.0022 0.0079 0.0189
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0014 0.003 0.0024
Plasmodium falciparum calcium-dependent protein kinase 3 0.002 0.007 0.033
Schistosoma mansoni hypothetical protein 0.0066 0.0378 0.1006
Mycobacterium ulcerans aldehyde dehydrogenase 0.0041 0.0208 0.0247
Entamoeba histolytica hypothetical protein 0.0024 0.0094 0.0257
Plasmodium vivax sulfate transporter, putative 0.0032 0.0149 0.0765
Loa Loa (eye worm) hypothetical protein 0.0155 0.097 0.4726
Trichomonas vaginalis glucose transporter, putative 0.0021 0.0072 0.0077
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0014 0.003 0.0047
Plasmodium falciparum proline--tRNA ligase 0.0023 0.009 0.0437
Trypanosoma cruzi hexose transporter, putative 0.0021 0.0072 0.4477
Brugia malayi Importin beta-1 subunit 0.003 0.0132 0.0763
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0041 0.0208 0.0197
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0014 0.003 0.0047
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0014 0.003 0.0024
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0094 0.0105
Trichomonas vaginalis sugar transporter, putative 0.0021 0.0072 0.0077
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0352 0.0935
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0079 0.0434
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0079 0.5016
Leishmania major carbonic anhydrase family protein, putative 0.0499 0.3268 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0039 0.0194 0.023
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0352 0.1683
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0236 0.0226
Echinococcus multilocularis epidermal growth factor receptor 0.0059 0.0326 0.0315
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0352 0.0935
Mycobacterium ulcerans aldehyde dehydrogenase 0.0041 0.0208 0.0247
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.002 0.0067 0.0156
Plasmodium falciparum calcium-dependent protein kinase 5 0.002 0.007 0.033
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0236 0.0617
Schistosoma mansoni tyrosine kinase 0.0059 0.0326 0.0863
Schistosoma mansoni lysyl-tRNA synthetase 0.0015 0.0033 0.0062
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.002 0.007 0.0294
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0023 0.009 0.5738
Leishmania major GTP-binding protein, putative 0.0022 0.0079 0.0211
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0039 0.0194 0.023
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0066 0.0378 0.1006
Mycobacterium ulcerans hypothetical protein 0.0039 0.0194 0.023
Echinococcus multilocularis importin subunit beta 1 0.003 0.0132 0.0121
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0013 0.0018 0.0024
Toxoplasma gondii lysine-tRNA ligase 0.0015 0.0033 0.0193
Echinococcus multilocularis insulin receptor 0.0129 0.0795 0.0785
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0014 0.003 0.0059
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0039 0.0194 0.023
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0079 0.0069
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0118 0.0186
Loa Loa (eye worm) hypothetical protein 0.0178 0.1123 0.5479
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0079 0.0381
Entamoeba histolytica acyl-CoA synthetase, putative 0.0039 0.0194 0.0564
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0014 0.003 0.0047
Schistosoma mansoni aldehyde dehydrogenase 0.0041 0.0208 0.054
Echinococcus multilocularis epidermal growth factor receptor 0.0059 0.0326 0.0315
Schistosoma mansoni serine/threonine protein kinase 0.002 0.007 0.0163
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0014 0.003 0.0047
Trypanosoma cruzi hexose transporter, putative 0.0021 0.0072 0.4477
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0039 0.0194 0.0564
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0014 0.003 0.0024
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0041 0.0208 0.0327
Schistosoma mansoni rab6-interacting 0.0155 0.097 0.2626
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.002 0.007 0.006
Schistosoma mansoni tyrosine kinase 0.0059 0.0326 0.0863
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.002 0.007 0.0507
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0032 0.0149 0.1175
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0014 0.003 0.0024
Echinococcus granulosus calcium dependent protein kinase 0.0019 0.0062 0.014
Onchocerca volvulus 0.0155 0.097 0.7545
Plasmodium vivax importin-beta 2, putative 0.003 0.0132 0.0669
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0041 0.0208 0.054
Plasmodium vivax proline--tRNA ligase, putative 0.0023 0.009 0.0437
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0014 0.003 0.0047
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0014 0.003 0.0024
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0015 0.0033 0.0029
Leishmania major lysyl-tRNA synthetase, putative 0.0015 0.0033 0.007
Schistosoma mansoni rab6-interacting 0.0155 0.097 0.2626
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0352 0.0342
Echinococcus multilocularis lipoxygenase domain containing protein 0.0155 0.097 0.096
Plasmodium falciparum protein kinase 6 0.0282 0.1818 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0059 0.0326 0.1553
Brugia malayi TAR-binding protein 0.0063 0.0352 0.2154
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.002 0.007 0.0163
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0014 0.003 0.0024
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0172 0.0441
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.002 0.007 0.033
Echinococcus granulosus muscleblind protein 0.0249 0.1597 0.4342
Leishmania major glucose transporter, lmgt3 0.0021 0.0072 0.0188
Entamoeba histolytica hypothetical protein 0.0036 0.0172 0.0494
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0039 0.0194 0.0306
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0086 0.0511 0.0501
Trypanosoma brucei glucose transporter, putative 0.0021 0.0072 0.4435
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0014 0.003 0.1453
Loa Loa (eye worm) hypothetical protein 0.007 0.0403 0.1935
Plasmodium falciparum calcium-dependent protein kinase 4 0.002 0.007 0.033
Schistosoma mansoni tyrosine kinase 0.0059 0.0326 0.0863
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0014 0.003 0.0047
Schistosoma mansoni jun-related protein 0.0071 0.0407 0.1086
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0378 0.0461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0236 0.1111
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0014 0.003 0.0047
Brugia malayi hypothetical protein 0.0155 0.097 0.6048
Schistosoma mansoni loxhd1 0.0155 0.097 0.2626
Trypanosoma brucei glucose transporter 2A 0.0021 0.0072 0.4435
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.002 0.007 0.4309
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.002 0.0067 0.0071
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0079 0.3286
Echinococcus granulosus epidermal growth factor receptor 0.0059 0.0326 0.0863
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0079 0.0381
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.002 0.007 0.006
Onchocerca volvulus Putative sulfate transporter 0.0202 0.1282 1
Leishmania major cytochrome p450-like protein 0.0023 0.0087 0.0234
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0023 0.009 0.0242
Schistosoma mansoni hypothetical protein 0.0315 0.204 0.5557
Brugia malayi Cam kinase protein 1 0.002 0.007 0.0376
Echinococcus granulosus lipoxygenase domain containing protein 0.0155 0.097 0.2626
Schistosoma mansoni tyrosine kinase 0.0129 0.0795 0.2147
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0014 0.003 0.0024
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0118 0.0186
Plasmodium falciparum importin beta, putative 0.003 0.0132 0.0669
Mycobacterium leprae putative cytochrome p450 0.0014 0.003 0.0059
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0352 0.0935
Loa Loa (eye worm) doublecortin family protein 0.0155 0.097 0.4726
Mycobacterium ulcerans acyl-CoA synthetase 0.0039 0.0194 0.023
Echinococcus granulosus General substrate transporter 0.0057 0.0316 0.0836
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0066 0.0378 0.1006
Entamoeba histolytica hypothetical protein 0.0036 0.0172 0.0494
Echinococcus multilocularis 0.0014 0.003 0.0019
Trypanosoma cruzi hexose transporter 0.0021 0.0072 0.4477
Echinococcus multilocularis Polycystic kidney disease protein 0.0155 0.097 0.096
Loa Loa (eye worm) hypothetical protein 0.0029 0.0129 0.0581
Brugia malayi bZIP transcription factor family protein 0.0086 0.0511 0.3156
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0041 0.0208 0.0605
Trypanosoma brucei PAB1-binding protein , putative 0.002 0.0067 0.4098
Schistosoma mansoni hypothetical protein 0.0215 0.1373 0.373
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0014 0.003 0.0024
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0011 0.0011 0.0076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0236 0.0617
Schistosoma mansoni tyrosine kinase 0.0058 0.0319 0.0844
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0014 0.003 0.0047
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0066 0.0378 0.0368
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0094 0.6076
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0094 0.0105
Trypanosoma brucei glucose transporter, putative 0.0021 0.0072 0.4435
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0079 0.4978
Trypanosoma brucei THT1 - hexose transporter, putative 0.0021 0.0072 0.4435
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0014 0.003 0.0024
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0087 0.0375
Schistosoma mansoni hypothetical protein 0.0014 0.003 0.0053
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0236 0.0617
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0032 0.0149 1
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.002 0.007 0.033
Schistosoma mansoni hypothetical protein 0.0215 0.1373 0.373
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0011 0.0011 0.0017
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0558 0.3663 0.3657
Echinococcus multilocularis 0.0017 0.0047 0.0036
Loa Loa (eye worm) hypothetical protein 0.003 0.0132 0.0596
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0087 0.5506
Leishmania major glucose transporter, lmgt2 0.0021 0.0072 0.0188
Echinococcus multilocularis muscleblind protein 0.0249 0.1597 0.1588
Loa Loa (eye worm) hypothetical protein 0.0029 0.0129 0.0581
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.002 0.007 0.0376
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0107 0.0652 0.5442
Schistosoma mansoni polycystin 1-related 0.0155 0.097 0.2626
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0477 0.3117 0.4906
Echinococcus multilocularis geminin 0.0215 0.1373 0.1364
Echinococcus granulosus jun protein 0.0086 0.0511 0.137
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0014 0.003 0.0024
Leishmania major 4-coumarate:coa ligase-like protein 0.0039 0.0194 0.0564
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0094 0.0105
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.002 0.0067 0.0057
Schistosoma mansoni protein kinase 0.002 0.007 0.0163
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0014 0.003 0.1387
Giardia lamblia Prolyl-tRNA synthetase 0.002 0.0067 0.243
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0011 0.0011 0.0076
Trypanosoma brucei glucose transporter, putative 0.0021 0.0072 0.4435
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0014 0.003 0.0024
Trypanosoma brucei glucose transporter, putative 0.0021 0.0072 0.4435
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0011 0.0011 0.0017
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0011 0.0011 0.0076
Plasmodium falciparum ataxin-2 like protein, putative 0.002 0.0067 0.0314
Onchocerca volvulus 0.0178 0.1123 0.8748
Plasmodium falciparum calcium-dependent protein kinase 1 0.002 0.007 0.033
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0087 0.0375
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0039 0.0195 0.1569
Schistosoma mansoni glucose transport protein 0.0066 0.0378 0.1006
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0039 0.0195 0.1569
Echinococcus granulosus cytochrome P450 2K1 0.0014 0.003 0.0053
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0315 0.204 1
Trypanosoma cruzi PAB1-binding protein , putative 0.002 0.0067 0.4143
Echinococcus granulosus epidermal growth factor receptor 0.0059 0.0326 0.0863
Onchocerca volvulus 0.0065 0.0369 0.2822
Schistosoma mansoni hypothetical protein 0.0071 0.0407 0.1086
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.002 0.0067 0.0359
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0014 0.003 0.1453
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.0278 0.1317
Echinococcus multilocularis calcium dependent protein kinase 0.0019 0.0062 0.0051
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0014 0.003 0.0024
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0133 0.0822 0.0813
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0087 0.554
Mycobacterium ulcerans carbonic anhydrase 0.0499 0.3268 0.4088
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0014 0.003 0.0024
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0129 0.0795 0.0785
Brugia malayi Protein kinase domain containing protein 0.0129 0.0795 0.4945
Entamoeba histolytica protein kinase, putative 0.002 0.007 0.0183
Brugia malayi Protein kinase domain containing protein 0.0071 0.041 0.2521
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0014 0.003 0.0047
Brugia malayi RNA, U transporter 1 0.0084 0.0495 0.3056
Entamoeba histolytica protein kinase, putative 0.002 0.007 0.0183
Mycobacterium ulcerans carbonic anhydrase 0.1205 0.798 1
Brugia malayi Cytochrome P450 family protein 0.0014 0.003 0.0121
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0236 0.1422
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0039 0.0194 0.0564
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0072 0.0077
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0066 0.0378 0.1006
Trichomonas vaginalis ran, putative 0.0022 0.0079 0.0086
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0015 0.0033 0.0029
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.0279
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0023 0.009 0.5705
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0086 0.0511 0.137
Echinococcus multilocularis lysyl tRNA synthetase 0.0015 0.0033 0.0023
Entamoeba histolytica hypothetical protein 0.0015 0.0033 0.007
Leishmania major glucose transporter, lmgt1 0.0021 0.0072 0.0188
Entamoeba histolytica hypothetical protein 0.0036 0.0172 0.0494
Echinococcus granulosus Polycystic kidney disease protein 0.0155 0.097 0.2626
Echinococcus granulosus geminin 0.0215 0.1373 0.373
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0352 0.0935
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.002 0.007 0.033
Loa Loa (eye worm) cytochrome P450 0.0014 0.003 0.0095
Loa Loa (eye worm) hypothetical protein 0.0249 0.1597 0.7813
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0014 0.003 0.0024
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0079 0.0585
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0087 0.554
Plasmodium vivax ataxin-2 like protein, putative 0.002 0.0067 0.0314
Giardia lamblia Histone acetyltransferase GCN5 0.0036 0.0174 1
Echinococcus granulosus RUN 0.0155 0.097 0.2626
Mycobacterium ulcerans aldehyde dehydrogenase 0.0041 0.0208 0.0247
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.002 0.007 0.006
Onchocerca volvulus 0.0155 0.097 0.7545
Schistosoma mansoni tyrosine kinase 0.0129 0.0795 0.2147
Toxoplasma gondii LsmAD domain-containing protein 0.002 0.0067 0.0481
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0172 0.0441
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0352 0.0935
Brugia malayi hypothetical protein 0.0155 0.097 0.6048
Entamoeba histolytica acetyltransferase, GNAT family 0.0036 0.0174 0.0501
Schistosoma mansoni tyrosine kinase 0.0058 0.0319 0.0844
Plasmodium falciparum histone acetyltransferase GCN5 0.0036 0.0174 0.0902
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0029 0.0129 0.0202
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0023 0.009 0.0242
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0014 0.003 0.0024
Schistosoma mansoni lipoxygenase 0.0558 0.3663 1
Schistosoma mansoni carbonic anhydrase 0.0499 0.3268 0.8918
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0233 0.1491 0.2347
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0011 0.0011 0.0017
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0029 0.0129 0.823
Trypanosoma brucei THT1 - hexose transporter, putative 0.0021 0.0072 0.4435
Entamoeba histolytica acyl-coA synthetase, putative 0.0039 0.0194 0.0564
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0014 0.003 0.0024
Plasmodium vivax hexose transporter 0.0066 0.0378 0.2033
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0172 0.0161
Loa Loa (eye worm) hypothetical protein 0.0015 0.0033 0.0112
Schistosoma mansoni lipoxygenase 0.0279 0.1799 0.4897
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.002 0.007 0.0163
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0014 0.003 0.0047
Schistosoma mansoni protein kinase 0.002 0.007 0.0163
Schistosoma mansoni hypothetical protein 0.0155 0.097 0.2626
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.002 0.0067 0.0156
Echinococcus multilocularis RUN 0.0155 0.097 0.096
Schistosoma mansoni ran 0.0022 0.0079 0.0189
Echinococcus multilocularis muscleblind protein 1 0.0249 0.1597 0.1588
Brugia malayi Sugar transporter family protein 0.0066 0.0378 0.2318
Trichomonas vaginalis sugar transporter, putative 0.0021 0.0072 0.0077
Loa Loa (eye worm) hypothetical protein 0.0039 0.0194 0.0905
Loa Loa (eye worm) hypothetical protein 0.0029 0.0129 0.0581
Plasmodium falciparum mitogen-activated protein kinase 2 0.0107 0.0652 0.3546
Schistosoma mansoni aldehyde dehydrogenase 0.0041 0.0208 0.054
Brugia malayi Doublecortin family protein 0.0155 0.097 0.6048
Echinococcus multilocularis snurportin 1 0.0315 0.204 0.2032
Schistosoma mansoni lysyl-tRNA synthetase 0.0015 0.0033 0.0062
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0079 0.5016
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0132 0.8742
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0558 0.3663 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0118 0.0186
Leishmania major glucose transporter/membrane transporter D2, putative 0.0021 0.0072 0.0188
Loa Loa (eye worm) hypothetical protein 0.0081 0.0473 0.2279
Schistosoma mansoni tyrosine kinase 0.0058 0.0319 0.0844
Echinococcus granulosus histone acetyltransferase KAT2B 0.0129 0.0798 0.2154
Entamoeba histolytica carbonic anhydrase, putative 0.0499 0.3268 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0014 0.003 0.0047
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0015 0.0033 0.0029
Loa Loa (eye worm) acetyltransferase 0.0133 0.0822 0.4
Brugia malayi hypothetical protein 0.0178 0.1123 0.7013
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0256 0.1642 0.2584
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0079 0.0189
Trichomonas vaginalis bromodomain-containing protein, putative 0.0039 0.0195 0.0232
Brugia malayi RNA binding protein 0.0063 0.0352 0.2154
Trichomonas vaginalis CAMK family protein kinase 0.002 0.007 0.0075
Loa Loa (eye worm) RNA binding protein 0.0063 0.0352 0.1683
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0352 0.1683
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0118 0.0186
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0015 0.0033 0.1646
Plasmodium falciparum ataxin-2 like protein, putative 0.002 0.0067 0.0314
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0014 0.003 0.0024
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0132 0.1027
Plasmodium vivax acyl-CoA synthetase, putative 0.0029 0.0129 0.0652
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.002 0.0067 0.0175
Trichomonas vaginalis glucose transporter, putative 0.0021 0.0072 0.0077
Echinococcus multilocularis jun protein 0.0086 0.0511 0.0501
Brugia malayi Muscleblind-like protein 0.0249 0.1597 1
Brugia malayi hypothetical protein 0.0036 0.0172 0.1016
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.002 0.0067 0.0156
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0039 0.0194 0.023
Brugia malayi AMP-binding enzyme family protein 0.0039 0.0194 0.1158
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.002 0.007 0.0163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0129 0.0581
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.002 0.0067 0.0175
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.002 0.007 0.0507
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0133 0.0822 0.2223
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.0129 0.0148
Plasmodium falciparum acyl-CoA synthetase 0.0029 0.0129 0.0652
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0011 0.0011 0.0017
Trypanosoma cruzi PAB1-binding protein , putative 0.002 0.0067 0.4143
Plasmodium falciparum protein kinase 7 0.0188 0.1189 0.6516
Brugia malayi AMP-binding enzyme family protein 0.0039 0.0194 0.1158
Plasmodium falciparum LCCL domain-containing protein 0.0155 0.097 0.5306
Mycobacterium ulcerans acyl-CoA synthetase 0.0039 0.0194 0.023
Toxoplasma gondii aldehyde dehydrogenase 0.0041 0.0208 0.1674
Echinococcus granulosus snurportin 1 0.0315 0.204 0.5557
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0032 0.0149 1
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0032 0.0149 0.0765
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0014 0.003 0.0024
Trypanosoma brucei glucose transporter, putative 0.0021 0.0072 0.4435
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0011 0.0011 0.0017
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0066 0.0378 0.0368
Echinococcus granulosus insulin receptor 0.0129 0.0795 0.2147
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0014 0.003 0.0047
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0066 0.0378 0.0368
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0014 0.003 0.0047
Loa Loa (eye worm) hypothetical protein 0.0249 0.1597 0.7813
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0079 0.0339
Trypanosoma brucei glucose transporter, putative 0.0021 0.0072 0.4435
Mycobacterium leprae Probable transmembrane transport protein 0.0233 0.1491 0.4544
Leishmania major protein kinase, putative 0.002 0.007 0.0183
Brugia malayi Furin-like cysteine rich region family protein 0.0059 0.0326 0.1987
Brugia malayi Cytochrome P450 family protein 0.0023 0.0087 0.048
Plasmodium vivax CDK-related protein kinase 6, putative 0.0282 0.1818 1
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.002 0.0067 0.0359
Chlamydia trachomatis sulfate transporter 0.0032 0.0149 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.002 0.007 0.006
Leishmania major importin beta-1 subunit, putative 0.0024 0.0094 0.0257
Echinococcus multilocularis General substrate transporter 0.0057 0.0316 0.0306
Echinococcus multilocularis lipoxygenase domain containing protein 0.0155 0.097 0.096
Leishmania major cytochrome p450-like protein 0.0014 0.003 0.0059
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0014 0.003 0.0024
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0157
Schistosoma mansoni protein kinase 0.002 0.007 0.0163
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0032 0.0149 0.0174
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0014 0.003 0.0047
Brugia malayi hypothetical protein 0.0065 0.0369 0.2262
Echinococcus granulosus importin subunit beta 1 0.003 0.0132 0.0331
Brugia malayi hypothetical protein 0.002 0.0067 0.0358
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0066 0.0378 0.0368
Trichomonas vaginalis sugar transporter, putative 0.0021 0.0072 0.0077
Loa Loa (eye worm) hypothetical protein 0.0039 0.0194 0.0905
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0032 0.0149 0.0174
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0014 0.003 0.0047
Leishmania major hypothetical protein, conserved 0.002 0.0067 0.0174
Toxoplasma gondii cytochrome p450 superfamily protein 0.0014 0.003 0.0163
Plasmodium vivax calcium-dependent protein kinase, putative 0.002 0.007 0.033
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0032 0.0149 1
Brugia malayi AMP-binding enzyme family protein 0.0039 0.0194 0.1158
Loa Loa (eye worm) hypothetical protein 0.002 0.007 0.0294
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0039 0.0195 0.1023
Plasmodium vivax lysine--tRNA ligase, putative 0.0015 0.0033 0.0126
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0014 0.003 0.0047
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0499 0.3268 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0352 0.2154
Entamoeba histolytica hypothetical protein 0.0036 0.0172 0.0494
Echinococcus granulosus tar DNA binding protein 0.0063 0.0352 0.0935
Toxoplasma gondii facilitative glucose transporter GT1 0.0066 0.0378 0.3121
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0013 0.0021 0.0013
Loa Loa (eye worm) sugar transporter 0.0066 0.0378 0.1811
Trypanosoma brucei glucose transporter, putative 0.0021 0.0072 0.4435
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0011 0.0011 0.0017
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0236 0.0226
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0014 0.003 0.0047
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0066 0.0378 0.1006

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 41 % Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase at 200 uM ChEMBL. 16875814
Inhibition (binding) = 41 % Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase at 200 uM ChEMBL. 16875814

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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