Detailed information for compound 1068740

Basic information

Technical information
  • TDR Targets ID: 1068740
  • Name: 3-(4-bromophenyl)sulfonyl-3-azabicyclo[3.1.0] hexane-2-carboxylic acid
  • MW: 346.197 | Formula: C12H12BrNO4S
  • H donors: 1 H acceptors: 4 LogP: 1.81 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1C2CC2CN1S(=O)(=O)c1ccc(cc1)Br
  • InChi: 1S/C12H12BrNO4S/c13-8-1-3-9(4-2-8)19(17,18)14-6-7-5-10(7)11(14)12(15)16/h1-4,7,10-11H,5-6H2,(H,15,16)
  • InChiKey: UWSISCWAFROVHI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MS-3613

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
Trichomonas vaginalis antibiotic synthetase, putative 0.003 0.0042 0.0065
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.0062 0.0062
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0062 0.0081
Schistosoma mansoni hypothetical protein 0.0031 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.137 0.6459 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.0124 0.0494 0.0494
Loa Loa (eye worm) hypothetical protein 0.062 0.2871 0.4445
Trypanosoma brucei acetyl-CoA synthetase, putative 0.003 0.0042 0.0065
Trichomonas vaginalis CMGC family protein kinase 0.0152 0.0629 0.0973
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.0396 0.0613
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.003 0.0042 0.1095
Echinococcus granulosus mitogen activated protein kinase 3 0.0152 0.0629 0.0629
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.0582 0.0582
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0104 0.0396 0.0396
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0211 0.0326
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.003 0.0042 0.0065
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.001 0.0015
Echinococcus granulosus mitogen activated protein kinase 0.0152 0.0629 0.0629
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.003 0.0042 0.1095
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0155 0.0506
Mycobacterium ulcerans acyl-CoA synthetase 0.003 0.0042 0.0065
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.0582 0.0582
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0155 0.0506
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.003 0.0042 0.0065
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.137 0.6459 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0051 0.0079
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0119
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0396 0.0613
Leishmania major 4-coumarate:coa ligase-like protein 0.01 0.0382 0.0591
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.0582 0.0582
Brugia malayi AMP-binding enzyme family protein 0.003 0.0042 0.0065
Mycobacterium ulcerans acyl-CoA synthetase 0.003 0.0042 0.0065
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.0582 0.0582
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0227 0.0227
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.062 0.2871 0.2871
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.001 0.0016
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0082 0.0082
Loa Loa (eye worm) RNA binding protein 0.0068 0.0227 0.0352
Brugia malayi Isocitrate dehydrogenase 0.0034 0.0062 0.0096
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0396 0.0613
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0049 0.0049
Onchocerca volvulus 0.003 0.0042 0.0146
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0227 0.0352
Schistosoma mansoni jumonji domain containing protein 0.0082 0.0291 0.0291
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0103 0.0393 0.0393
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.01 0.0382 0.0591
Leishmania major acetyl-CoA synthetase, putative 0.003 0.0042 0.0065
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.003 0.0042 0.0065
Leishmania major 4-coumarate:coa ligase-like protein 0.01 0.0382 0.0591
Trichomonas vaginalis glucosylceramidase, putative 0.0192 0.0821 0.127
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.0774 0.1197
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.0062 0.0062
Schistosoma mansoni synaptic glycoprotein sc2 related 0.062 0.2871 0.2871
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0152 0.0629 0.0973
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0142 0.0582 0.0901
Loa Loa (eye worm) hypothetical protein 0.0075 0.026 0.0403
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0158 0.0245
Trichomonas vaginalis ran, putative 0.0023 0.001 0.0015
Trypanosoma brucei polo-like protein kinase 0.0104 0.0396 0.0613
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0021 0.0033
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.003 0.0042 0.0065
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.062 0.2871 0.4445
Brugia malayi Bromodomain containing protein 0.0031 0.0051 0.0079
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.0062 0.0062
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0104 0.0396 0.0396
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0077 0.0119
Echinococcus multilocularis muscleblind protein 0.0299 0.1331 0.1331
Brugia malayi RNA binding protein 0.0068 0.0227 0.0352
Plasmodium falciparum importin beta, putative 0.0031 0.0049 0.0137
Onchocerca volvulus Glucosylceramidase homolog 0.0182 0.0774 0.2695
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.062 0.2871 0.4445
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.062 0.2871 0.4436
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0075 0.026 0.0403
Toxoplasma gondii propionate-CoA ligase 0.003 0.0042 0.0049
Schistosoma mansoni hypothetical protein 0.0339 0.1523 0.1523
Trichomonas vaginalis CMGC family protein kinase 0.0152 0.0629 0.0973
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0396 0.0613
Echinococcus multilocularis mitogen activated protein kinase 0.0152 0.0629 0.0629
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.1231 0.1906
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.137 0.6459 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0227 0.0227
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.137 0.6459 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.137 0.6459 1
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.0774 0.1197
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0082 0.0128
Brugia malayi MAP kinase sur-1 0.0152 0.0629 0.0973
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.003 0.0042 0.0065
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0062 0.0062
Mycobacterium ulcerans acyl-CoA synthetase 0.003 0.0042 0.0065
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.001 0.001
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.003 0.0042 0.1095
Leishmania major 4-coumarate:coa ligase-like protein 0.01 0.0382 0.0591
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0021 0.0033
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0331 0.1488 0.2303
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.0062 0.0062
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0049 0.0076
Onchocerca volvulus Alhambra homolog 0.0031 0.0051 0.0177
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.01 0.0382 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.062 0.2871 0.4436
Brugia malayi P38 map kinase family protein 2 0.0124 0.0494 0.0765
Echinococcus multilocularis mitogen activated protein kinase 14 0.0124 0.0494 0.0494
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0071 0.0241 0.6299
Loa Loa (eye worm) hypothetical protein 0.01 0.0382 0.0591
Giardia lamblia Kinase, CMGC MAPK 0.0152 0.0629 0.2189
Echinococcus granulosus snurportin 1 0.0331 0.1488 0.1488
Loa Loa (eye worm) oxidoreductase 0.003 0.0042 0.0065
Brugia malayi AMP-binding enzyme family protein 0.003 0.0042 0.0065
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.01 0.0382 0.0591
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0062 0.0096
Mycobacterium ulcerans acyl-CoA synthetase 0.01 0.0382 0.0591
Trypanosoma brucei protein kinase, putative 0.0152 0.0629 0.0973
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.001 0.001
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.1231 0.1906
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.062 0.2871 0.4445
Schistosoma mansoni serine/threonine protein kinase 0.0152 0.0629 0.0629
Schistosoma mansoni synaptic glycoprotein sc2 related 0.062 0.2871 0.2871
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0142 0.0582 0.0901
Entamoeba histolytica acyl-coA synthetase, putative 0.01 0.0382 0.0591
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0034 0.0062 0.0182
Loa Loa (eye worm) hypothetical protein 0.0075 0.026 0.0403
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0278 0.1231 0.1906
Brugia malayi AMP-binding enzyme family protein 0.01 0.0382 0.0591
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0152 0.0629 0.0973
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.137 0.6459 1
Mycobacterium ulcerans acyl-CoA synthetase 0.003 0.0042 0.0065
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.137 0.6459 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0152 0.0629 0.0973
Echinococcus multilocularis snurportin 1 0.0331 0.1488 0.1488
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0082 0.0082
Echinococcus granulosus mitogen activated protein kinase 11 0.0124 0.0494 0.0494
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.003 0.0042 0.1095
Echinococcus granulosus importin subunit beta 1 0.0031 0.0049 0.0049
Loa Loa (eye worm) AMP-binding enzyme family protein 0.003 0.0042 0.0065
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.003 0.0042 0.1095
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.0516 0.0799
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.003 0.0042 0.1095
Echinococcus multilocularis mitogen activated protein kinase 3 0.0152 0.0629 0.0629
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0034 0.0062 0.0182
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0227 0.0352
Schistosoma mansoni kinase 0.0054 0.0157 0.0157
Onchocerca volvulus 0.003 0.0042 0.0146
Mycobacterium ulcerans acyl-CoA synthetase 0.01 0.0382 0.0591
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0062 0.0062
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.0774 0.1197
Plasmodium vivax acyl-CoA synthetase, putative 0.0075 0.026 0.0874
Mycobacterium ulcerans acyl-CoA synthetase 0.003 0.0042 0.0065
Leishmania major acetyl-CoA synthetase, putative 0.003 0.0042 0.0065
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0049 0.0061
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0051 0.0079
Plasmodium vivax polyprenol reductase, putative 0.062 0.2871 1
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0051 0.0143
Echinococcus multilocularis muscleblind protein 1 0.0299 0.1331 0.1331
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0152 0.0629 0.0973
Echinococcus granulosus geminin 0.0339 0.1523 0.1523
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1729 0.8181 0.8181
Brugia malayi Importin beta-1 subunit 0.0031 0.0049 0.0076
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0103 0.0393 0.0393
Entamoeba histolytica acyl-CoA synthetase, putative 0.01 0.0382 0.0591
Brugia malayi TAR-binding protein 0.0068 0.0227 0.0352
Mycobacterium ulcerans acyl-CoA synthetase 0.01 0.0382 0.0591
Trichomonas vaginalis CMGC family protein kinase 0.0152 0.0629 0.0973
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.0062 0.0096
Echinococcus multilocularis peregrin 0.0031 0.0051 0.0051
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0075 0.026 0.5
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.062 0.2871 0.2871
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0396 0.0613
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.1231 0.1906
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.003 0.0042 0.1095
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.1231 0.1906
Brugia malayi isocitrate dehydrogenase 0.0034 0.0062 0.0096
Onchocerca volvulus 0.003 0.0042 0.0146
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.003 0.0042 0.0049
Brugia malayi serine/threonine-protein kinase plk-2 0.0104 0.0396 0.0614
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.011 0.011
Entamoeba histolytica hypothetical protein 0.0025 0.0021 0.0033
Loa Loa (eye worm) hypothetical protein 0.0031 0.0049 0.0076
Entamoeba histolytica Ran family GTPase 0.0023 0.001 0.0015
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.0582 0.0582
Schistosoma mansoni acetyl-CoA synthetase 0.003 0.0042 0.0042
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0075 0.026 0.6813
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0158 0.0245
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.0582 0.0582
Mycobacterium ulcerans acyl-CoA synthetase 0.003 0.0042 0.0065
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.0774 0.1197
Mycobacterium ulcerans acyl-CoA synthetase 0.003 0.0042 0.0065
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0049 0.0076
Echinococcus granulosus tar DNA binding protein 0.0068 0.0227 0.0227
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.1231 0.1906
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0124 0.0494 0.0765
Schistosoma mansoni hypothetical protein 0.0024 0.0015 0.0015
Brugia malayi PHD-finger family protein 0.0031 0.0051 0.0079
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.137 0.6459 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.01 0.0382 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.01 0.0382 1
Mycobacterium ulcerans acetyl-CoA synthetase 0.003 0.0042 0.0065
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0155 0.0239
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0124 0.0494 0.0765
Loa Loa (eye worm) hypothetical protein 0.0054 0.0158 0.0245
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.1231 0.1906
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.015 0.0233
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0051 0.0063
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0396 0.0613
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.003 0.0042 0.0065
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0396 0.0613
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0152 0.0629 0.0959
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.01 0.0382 1
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.003 0.0042 0.0065
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.137 0.6459 1
Schistosoma mansoni importin beta-1 0.0031 0.0049 0.0049
Schistosoma mansoni hypothetical protein 0.0339 0.1523 0.1523
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0021 0.0033
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.003 0.0042 0.1095
Loa Loa (eye worm) hypothetical protein 0.0299 0.1331 0.2061
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.015 0.0233
Brugia malayi AMP-binding enzyme family protein 0.01 0.0382 0.0591
Brugia malayi hypothetical protein 0.0053 0.0155 0.024
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0071 0.0241 0.6299
Loa Loa (eye worm) hypothetical protein 0.0299 0.1331 0.2061
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.003 0.0042 0.0065
Loa Loa (eye worm) hypothetical protein 0.062 0.2871 0.4445
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0071 0.0241 0.6299
Loa Loa (eye worm) AMP-binding enzyme family protein 0.003 0.0042 0.0065
Giardia lamblia Synaptic glycoprotein SC2 0.062 0.2871 1
Mycobacterium ulcerans hypothetical protein 0.01 0.0382 0.0591
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.062 0.2871 1
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.003 0.0042 0.0065
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.062 0.2871 0.4445
Plasmodium vivax importin-beta 2, putative 0.0031 0.0049 0.0137
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0155 0.0224
Onchocerca volvulus 0.003 0.0042 0.0146
Loa Loa (eye worm) hypothetical protein 0.0053 0.0155 0.024
Plasmodium vivax acetyl-CoA synthetase, putative 0.003 0.0042 0.0111
Plasmodium falciparum phd finger protein, putative 0.0031 0.0051 0.0143
Giardia lamblia Kinase, PLK 0.0104 0.0396 0.138
Echinococcus granulosus jumonji domain containing protein 0.0044 0.011 0.011
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.003 0.0042 0.0049
Brugia malayi Synaptic glycoprotein SC2 0.062 0.2871 0.4445
Loa Loa (eye worm) hypothetical protein 0.003 0.0042 0.0065
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0062 0.0096
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0155 0.0506
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0104 0.0396 0.0613
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0227 0.0227
Entamoeba histolytica acyl-CoA synthetase, putative 0.01 0.0382 0.0591
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0155 0.0239
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.062 0.2871 0.4445
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.137 0.6459 1
Schistosoma mansoni ran 0.0023 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0054 0.0158 0.0245
Trichomonas vaginalis conserved hypothetical protein 0.062 0.2871 0.4445
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.003 0.0042 0.0042
Brugia malayi AMP-binding enzyme family protein 0.01 0.0382 0.0591
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0062 0.0062
Schistosoma mansoni hypothetical protein 0.0037 0.0077 0.0077
Echinococcus granulosus peregrin 0.0031 0.0051 0.0051
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.0774 0.1197
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.003 0.0042 0.0065
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0124 0.0494 0.0765
Loa Loa (eye worm) hypothetical protein 0.003 0.0042 0.0065
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0124 0.0494 0.0765
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0152 0.0629 0.0973
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0015 0.0015
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.003 0.0042 0.0042
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.003 0.0042 0.0065
Giardia lamblia PHD finger protein 15 0.0031 0.0051 0.0177
Brugia malayi Muscleblind-like protein 0.0299 0.1331 0.2061
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0034 0.0062 0.0096
Echinococcus granulosus mitogen activated protein kinase 14 0.0124 0.0494 0.0494
Brugia malayi AMP-binding enzyme family protein 0.003 0.0042 0.0065
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.001 0.0015
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.003 0.0042 0.1095
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0062 0.0096
Leishmania major hypothetical protein, conserved 0.0053 0.0155 0.0239
Entamoeba histolytica hypothetical protein 0.062 0.2871 0.4445
Mycobacterium ulcerans fatty-acid-CoA ligase 0.01 0.0382 0.0591
Trichomonas vaginalis CMGC family protein kinase 0.0152 0.0629 0.0973
Plasmodium falciparum polyprenol reductase, putative 0.062 0.2871 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.0396 0.0613
Entamoeba histolytica steroid 5-alpha reductase, putative 0.137 0.6459 1
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.0516 0.0799
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0021 0.0033
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0082 0.0082
Echinococcus multilocularis geminin 0.0339 0.1523 0.1523
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0124 0.0494 0.0765
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0152 0.0629 0.0973
Brugia malayi hypothetical protein 0.0034 0.0065 0.01
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.0396 0.0396
Brugia malayi RNA, U transporter 1 0.0088 0.0323 0.0501
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0158 0.0245
Loa Loa (eye worm) hypothetical protein 0.01 0.0382 0.0591
Trichomonas vaginalis antibiotic synthetase, putative 0.003 0.0042 0.0065
Onchocerca volvulus 0.062 0.2871 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0396 0.0613
Brugia malayi MH2 domain containing protein 0.0129 0.0516 0.0799
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.003 0.0042 0.0065
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0075 0.026 0.0403
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0227 0.0227
Brugia malayi jmjC domain containing protein 0.0038 0.0082 0.0128
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.062 0.2871 1
Trichomonas vaginalis conserved hypothetical protein 0.062 0.2871 0.4445
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0278 0.1231 0.1906
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.0774 0.1197
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0015 0.0015
Leishmania major GTP-binding protein, putative 0.0023 0.001 0.0015
Loa Loa (eye worm) hypothetical protein 0.0075 0.026 0.0403
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.003 0.0042 0.0065
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0051 0.0063
Plasmodium falciparum acyl-CoA synthetase 0.0075 0.026 0.0874
Schistosoma mansoni hypothetical protein 0.0331 0.1488 0.1488
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.003 0.0042 0.0065
Plasmodium falciparum acetyl-CoA synthetase, putative 0.003 0.0042 0.0111
Trichomonas vaginalis glucosylceramidase, putative 0.0192 0.0821 0.127
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0155 0.0239
Echinococcus multilocularis synaptic glycoprotein sc2 0.062 0.2871 0.2871
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0034 0.0062 0.1627
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.0774 0.1197
Mycobacterium ulcerans hypothetical protein 0.137 0.6459 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0071 0.0241 0.6299
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0034 0.0062 0.0096
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0227 0.0227
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.003 0.0042 0.1095
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.001 0.0035
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0227 0.0352
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0051 0.0051
Brugia malayi acetyl-Coenzyme A synthetase 2 0.003 0.0042 0.0065
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.0582 0.0582
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.062 0.2871 0.4445
Schistosoma mansoni ran 0.0023 0.001 0.001
Onchocerca volvulus Serine\/threonine kinase homolog 0.0104 0.0396 0.1381
Echinococcus granulosus muscleblind protein 0.0299 0.1331 0.1331
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0082 0.0082
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0227 0.0227
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.001 0.0015
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.003 0.0042 0.1095
Loa Loa (eye worm) hypothetical protein 0.01 0.0382 0.0591
Leishmania major importin beta-1 subunit, putative 0.0025 0.0021 0.0033
Brugia malayi jmjC domain containing protein 0.0103 0.0393 0.0608
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0152 0.0629 0.0973
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0152 0.0629 0.0973
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0062 0.0081
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0104 0.0396 0.0614
Loa Loa (eye worm) hypothetical protein 0.0075 0.026 0.0403
Echinococcus multilocularis mitogen activated protein kinase 11 0.0124 0.0494 0.0494
Echinococcus multilocularis mitogen activated protein kinase 14 0.0124 0.0494 0.0494
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0022 0.058
Echinococcus granulosus synaptic glycoprotein sc2 0.062 0.2871 0.2871
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0051 0.0051
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.062 0.2871 0.4445
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.003 0.0042 0.0065
Onchocerca volvulus 0.01 0.0382 0.133
Brugia malayi AMP-binding enzyme family protein 0.003 0.0042 0.0065
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.062 0.2871 0.4445
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.003 0.0042 0.0065
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.001 0.0016
Entamoeba histolytica serine/threonine protein kinase, putative 0.0104 0.0396 0.0613
Mycobacterium ulcerans acyl-CoA synthetase 0.003 0.0042 0.0065
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.01 0.0382 0.0591

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1042 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) 1.4716 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) 100 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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