Detailed information for compound 600684

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 366.285 | Formula: C18H21Cl2N3O
  • H donors: 2 H acceptors: 1 LogP: 4.69 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl.Cl
  • InChi: 1S/C18H20ClN3O.ClH/c1-23-13-5-7-16-15(11-13)18(21-9-3-2-8-20)14-6-4-12(19)10-17(14)22-16;/h4-7,10-11H,2-3,8-9,20H2,1H3,(H,21,22);1H
  • InChiKey: HSKXYPJPZDVIBE-UHFFFAOYSA-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
Onchocerca volvulus Pyruvate kinase homolog 0.0022 0.0041 0.0267
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0047 0.0141 0.0525
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0067 0.0064
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0035 0.0032
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0594 0.2349 1
Echinococcus granulosus Aminotransferase class III 0.0071 0.0239 0.0894
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0149 0.0552 0.208
Brugia malayi hypothetical protein 0.0109 0.0391 0.0389
Brugia malayi hypothetical protein 0.0105 0.0376 0.0373
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0502 0.1979 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0594 0.2349 1
Echinococcus granulosus importin subunit beta 1 0.0028 0.0065 0.0238
Schistosoma mansoni dishevelled 0.0018 0.0024 0.0089
Loa Loa (eye worm) MH2 domain-containing protein 0.2487 1 1
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0071 0.0239 0.102
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0044 0.0175
Schistosoma mansoni transcription factor LCR-F1 0.0109 0.0391 0.1479
Loa Loa (eye worm) pyruvate kinase-PB 0.0016 0.0014 0.0011
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0065 0.0238
Loa Loa (eye worm) hypothetical protein 0.0094 0.0329 0.0326
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0065 0.0892
Schistosoma mansoni ran 0.0021 0.0035 0.0132
Echinococcus multilocularis ornithine aminotransferase 0.0071 0.0239 0.0894
Echinococcus granulosus Pleckstrin G protein interacting region 0.0018 0.0024 0.008
Echinococcus multilocularis GPCR, family 2 0.0149 0.0552 0.208
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0035 0.0869
Trypanosoma brucei PAB1-binding protein , putative 0.0105 0.0376 1
Echinococcus multilocularis mothers against decapentaplegic 6 0.0076 0.0256 0.0961
Mycobacterium tuberculosis Probable aminotransferase 0.0502 0.1979 1
Echinococcus granulosus GPCR family 2 0.0149 0.0552 0.208
Loa Loa (eye worm) MH2 domain-containing protein 0.0076 0.0256 0.0254
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0071 0.0239 0.102
Echinococcus granulosus pyruvate kinase 0.0022 0.0041 0.0145
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0594 0.2349 1
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0024 0.008
Plasmodium vivax pyruvate kinase, putative 0.0022 0.0041 0.0071
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0091 0.0335
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0231 0.0882 0.333
Schistosoma mansoni ran 0.0021 0.0035 0.0132
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0231 0.0882 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0105 0.0376 0.4023
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0024 0.008
Schistosoma mansoni Smad4 0.0076 0.0256 0.0969
Loa Loa (eye worm) hypothetical protein 0.0149 0.0552 0.055
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0044 0.0175
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0502 0.1979 1
Brugia malayi hypothetical protein 0.0018 0.0024 0.0021
Entamoeba histolytica hypothetical protein 0.0109 0.0391 0.1656
Leishmania major hypothetical protein, conserved 0.0105 0.0376 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0105 0.0376 1
Trichomonas vaginalis pyruvate kinase, putative 0.0022 0.0041 0.0164
Echinococcus multilocularis smad 0.0169 0.0635 0.2394
Toxoplasma gondii pyruvate kinase PyK1 0.0022 0.0041 0.0202
Schistosoma mansoni smad1 5 8 and 0.0169 0.0635 0.2402
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0231 0.0882 0.4341
Schistosoma mansoni smad 0.0169 0.0635 0.2402
Trichomonas vaginalis pyruvate kinase, putative 0.0022 0.0041 0.0164
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0502 0.1979 0.8423
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0105 0.0374 0.1583
Loa Loa (eye worm) hypothetical protein 0.0471 0.1852 0.185
Brugia malayi Bromodomain containing protein 0.0029 0.0067 0.0064
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0091 0.0335
Schistosoma mansoni hypothetical protein 0.0149 0.0552 0.2088
Brugia malayi MH2 domain containing protein 0.0076 0.0256 0.0254
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0231 0.0882 0.2941
Echinococcus multilocularis mothers against decapentaplegic 2 0.0076 0.0256 0.0961
Loa Loa (eye worm) hypothetical protein 0.0076 0.0256 0.0254
Loa Loa (eye worm) hypothetical protein 0.0105 0.0376 0.0373
Brugia malayi RNA recognition motif domain containing protein 0.0667 0.2644 0.2642
Entamoeba histolytica pyruvate kinase, putative 0.0016 0.0014 0.0047
Echinococcus granulosus smad 0.0169 0.0635 0.2394
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0035 0.0123
Schistosoma mansoni Smad4 0.0076 0.0256 0.0969
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.0271 0.279
Schistosoma mansoni smad 0.0076 0.0256 0.0969
Echinococcus multilocularis Aminotransferase class III 0.0071 0.0239 0.0894
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0071 0.0239 0.102
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.0331 0.1245
Brugia malayi TAR-binding protein 0.0667 0.2644 0.2642
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0231 0.0882 0.4341
Brugia malayi jmjC domain containing protein 0.0035 0.0091 0.0089
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0071 0.0239 0.2505
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.029 0.1122 0.5578
Loa Loa (eye worm) DIX domain-containing protein 0.0018 0.0024 0.0021
Loa Loa (eye worm) RNA binding protein 0.0667 0.2644 0.2642
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0024 0.008
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0071 0.0239 0.0903
Schistosoma mansoni smad1 5 8 and 0.0169 0.0635 0.2402
Plasmodium falciparum ornithine aminotransferase 0.0071 0.0239 0.2404
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0082 0.0282 0.1058
Echinococcus multilocularis tar DNA binding protein 0.0667 0.2644 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0546 0.2155 0.8149
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0082 0.0282 0.7487
Treponema pallidum fructose-bisphosphate aldolase 0.0594 0.2349 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0067 0.0064
Trypanosoma cruzi pyruvate kinase 2, putative 0.0022 0.0041 0.103
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0082 0.0282 0.1058
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0082 0.0282 0.1058
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0035 0.0123
Brugia malayi MH1 domain containing protein 0.0169 0.0635 0.0633
Loa Loa (eye worm) latrophilin receptor protein 2 0.0149 0.0552 0.055
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0151 0.0561 0.2684
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0024 0.008
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0231 0.0882 0.4341
Loa Loa (eye worm) hypothetical protein 0.0018 0.0024 0.0021
Brugia malayi mothers against decapentaplegic homolog 3 0.0076 0.0256 0.0254
Brugia malayi RNA, U transporter 1 0.0081 0.0278 0.0275
Loa Loa (eye worm) pyruvate kinase 0.0022 0.0041 0.0038
Entamoeba histolytica hypothetical protein 0.0023 0.0044 0.0175
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0082 0.0282 0.2915
Echinococcus multilocularis mothers against decapentaplegic 5 0.0169 0.0635 0.2394
Loa Loa (eye worm) MH1 domain-containing protein 0.0076 0.0256 0.0254
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0044 0.11
Mycobacterium ulcerans acetylornithine aminotransferase 0.0071 0.0239 0.102
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0082 0.0282 0.7248
Schistosoma mansoni hypothetical protein 0.0149 0.0552 0.2088
Echinococcus granulosus Smad4 0.0169 0.0635 0.2394
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.0003 0.001
Loa Loa (eye worm) Smad1 0.0169 0.0635 0.0633
Onchocerca volvulus 0.0018 0.0024 0.0146
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0091 0.0345
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0471 0.1852 0.185
Brugia malayi jmjC domain containing protein 0.0094 0.0331 0.0329
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0369 0.144 0.6126
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0065 0.0892
Brugia malayi RNA binding protein 0.0667 0.2644 0.2642
Schistosoma mansoni hypothetical protein 0.0047 0.0141 0.0534
Brugia malayi MH1 domain containing protein 0.0169 0.0635 0.0633
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0024 0.008
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0067 0.0243
Brugia malayi Pyruvate kinase, muscle isozyme 0.0022 0.0041 0.0038
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0151 0.0561 0.2684
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0231 0.0882 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0369 0.144 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0169 0.0635 0.2394
Echinococcus multilocularis pyruvate kinase 0.0022 0.0041 0.0145
Echinococcus granulosus pyruvate kinase 0.0022 0.0041 0.0145
Giardia lamblia Pyruvate kinase 0.0022 0.0041 0.0026
Schistosoma mansoni hypothetical protein 0.0304 0.1179 0.446
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0024 0.008
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0011
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0502 0.1979 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0105 0.0376 0.4023
Schistosoma mansoni hypothetical protein 0.0109 0.0391 0.1479
Schistosoma mansoni hypothetical protein 0.0322 0.125 0.4728
Trypanosoma brucei pyruvate kinase 1 0.0022 0.0041 0.0176
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0191 0.0188
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.029 0.1122 0.5578
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0112 0.0415
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0594 0.2349 1
Plasmodium falciparum pyruvate kinase 0.0022 0.0041 0.0071
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0271 0.279
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0071 0.0239 0.102
Schistosoma mansoni tar DNA-binding protein 0.0667 0.2644 1
Echinococcus multilocularis Smad4 0.0169 0.0635 0.2394
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0231 0.0882 1
Schistosoma mansoni hypothetical protein 0.005 0.0154 0.0581
Echinococcus multilocularis isocitrate dehydrogenase 0.0082 0.0282 0.1058
Schistosoma mansoni smad1 5 8 and 0.0169 0.0635 0.2402
Brugia malayi Importin beta-1 subunit 0.0028 0.0065 0.0063
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0082 0.0282 0.1244
Echinococcus granulosus snurportin 1 0.0304 0.1179 0.4454
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0035 0.0133
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0082 0.0282 0.1067
Schistosoma mansoni ras GTP exchange factor 0.0013 0.0003 0.001
Brugia malayi hypothetical protein 0.0068 0.0225 0.0222
Schistosoma mansoni tar DNA-binding protein 0.0667 0.2644 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0594 0.2349 1
Leishmania major pyruvate kinase 0.0022 0.0041 0.0176
Echinococcus multilocularis survival motor neuron protein 1 0.0247 0.0947 0.3575
Onchocerca volvulus Pyruvate kinase homolog 0.0022 0.0041 0.0267
Brugia malayi MH2 domain containing protein 0.0169 0.0635 0.0633
Schistosoma mansoni survival motor neuron protein 0.005 0.0154 0.0581
Toxoplasma gondii hypothetical protein 0.0079 0.0271 0.2885
Echinococcus granulosus peptidase Clp S14 family 0.0151 0.0561 0.2115
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0253 0.0957
Schistosoma mansoni tar DNA-binding protein 0.0667 0.2644 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.0331 0.1245
Toxoplasma gondii isocitrate dehydrogenase 0.0082 0.0282 0.3009
Onchocerca volvulus Alhambra homolog 0.0029 0.0067 0.0446
Echinococcus multilocularis pyruvate kinase 0.0022 0.0041 0.0145
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0018 0.0024 0.0021
Loa Loa (eye worm) hypothetical protein 0.0018 0.0024 0.0021
Plasmodium falciparum phd finger protein, putative 0.0029 0.0067 0.0374
Echinococcus granulosus mothers against decapentaplegic 6 0.0076 0.0256 0.0961
Loa Loa (eye worm) hypothetical protein 0.0369 0.144 0.1438
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0082 0.0282 0.7487
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0067 0.0243
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0471 0.1852 0.185
Entamoeba histolytica hypothetical protein 0.0109 0.0391 0.1656
Schistosoma mansoni regulator of G protein signaling 0.0018 0.0024 0.0089
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.0003 0.001
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0149 0.0552 0.208
Schistosoma mansoni hypothetical protein 0.0029 0.0067 0.0252
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 0.1179 0.1177
Entamoeba histolytica hypothetical protein 0.0109 0.0391 0.1656
Brugia malayi regulator of G-protein signaling egl-10 0.0018 0.0024 0.0021
Giardia lamblia PHD finger protein 15 0.0029 0.0067 0.0137
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0151 0.0561 0.2684
Entamoeba histolytica Ran family GTPase 0.0021 0.0035 0.0138
Loa Loa (eye worm) MH1 domain-containing protein 0.0169 0.0635 0.0633
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0024 0.008
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0231 0.0882 1
Onchocerca volvulus 0.005 0.0154 0.105
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0231 0.0882 1
Toxoplasma gondii LsmAD domain-containing protein 0.0105 0.0376 0.4102
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0063
Brugia malayi MH1 domain containing protein 0.0094 0.0329 0.0326
Mycobacterium ulcerans L-lysine aminotransferase 0.0071 0.0239 0.102
Brugia malayi Isocitrate dehydrogenase 0.0082 0.0282 0.028
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0109 0.0391 0.1471
Schistosoma mansoni z-protein (S1r protein) 0.0018 0.0024 0.0089
Brugia malayi PHD-finger family protein 0.0029 0.0067 0.0064
Trypanosoma cruzi PAB1-binding protein , putative 0.0105 0.0376 1
Toxoplasma gondii isocitrate dehydrogenase 0.0082 0.0282 0.3009
Schistosoma mansoni pyruvate kinase 0.0022 0.0041 0.0155
Brugia malayi Probable ClpP-like protease 0.0231 0.0882 0.088
Brugia malayi DIX domain containing protein 0.0018 0.0024 0.0021
Echinococcus granulosus jumonji domain containing protein 0.004 0.0112 0.0415
Plasmodium vivax ornithine aminotransferase, putative 0.0071 0.0239 0.2404
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0082 0.0282 0.2915
Giardia lamblia DNA repair protein RAD52 0.0369 0.144 0.6071
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0667 0.2644 0.2642
Schistosoma mansoni tar DNA-binding protein 0.0667 0.2644 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0594 0.2349 1
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0071 0.0239 0.102
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0024 0.0021
Plasmodium falciparum importin beta, putative 0.0028 0.0065 0.0359
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0082 0.0282 0.1058
Schistosoma mansoni peptidase Clp (S14 family) 0.0231 0.0882 0.3337
Brugia malayi hypothetical protein 0.0247 0.0947 0.0944
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0149 0.0552 0.208
Leishmania major pyruvate kinase 0.0022 0.0041 0.0176
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0076 0.0256 0.1765
Loa Loa (eye worm) hypothetical protein 0.0022 0.0041 0.0038
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0594 0.2349 1
Brugia malayi N-terminal motif family protein 0.0369 0.144 0.1438
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0065 0.0487
Brugia malayi MH2 domain containing protein 0.0169 0.0635 0.0633
Echinococcus granulosus survival motor neuron protein 1 0.0247 0.0947 0.3575
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0047 0.0141 0.0525
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0082 0.0282 0.1058
Brugia malayi hypothetical protein 0.0018 0.0024 0.0021
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0018 0.0024 0.0089
Schistosoma mansoni hypothetical protein 0.0149 0.0552 0.2088
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0067 0.0252
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0071 0.0239 0.102
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0594 0.2349 1
Mycobacterium ulcerans hypothetical protein 0.0502 0.1979 1
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0071 0.0239 0.102
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0071 0.0239 0.235
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0079 0.0271 0.1189
Schistosoma mansoni pyruvate kinase 0.0022 0.0041 0.0155
Trypanosoma cruzi pyruvate kinase 2, putative 0.0022 0.0041 0.103
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0044 0.0175
Onchocerca volvulus Pyruvate kinase homolog 0.0022 0.0041 0.0267
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0169 0.0635 0.2394
Brugia malayi Latrophilin receptor protein 2 0.0149 0.0552 0.055
Plasmodium vivax importin-beta 2, putative 0.0028 0.0065 0.0359
Brugia malayi MH1 domain containing protein 0.0094 0.0329 0.0326
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0149 0.0552 0.208
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0091 0.0345
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0024 0.008
Entamoeba histolytica hypothetical protein 0.0109 0.0391 0.1656
Schistosoma mansoni hypothetical protein 0.0149 0.0552 0.2088
Loa Loa (eye worm) hypothetical protein 0.0049 0.015 0.0147
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.029 0.1122 0.5578
Echinococcus granulosus mothers against decapentaplegic 2 0.0076 0.0256 0.0961
Loa Loa (eye worm) hypothetical protein 0.0247 0.0947 0.0944
Entamoeba histolytica hypothetical protein 0.0105 0.0374 0.1583
Schistosoma mansoni Smad4 0.0169 0.0635 0.2402
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0035 0.0869
Brugia malayi latrophilin 2 splice variant baaae 0.0322 0.125 0.1248
Loa Loa (eye worm) TAR-binding protein 0.0667 0.2644 0.2642
Brugia malayi Pyruvate kinase, M2 isozyme 0.0022 0.0041 0.0038
Loa Loa (eye worm) pyruvate kinase 0.0022 0.0041 0.0038
Schistosoma mansoni importin beta-1 0.0028 0.0065 0.0247
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0067 0.0374
Echinococcus granulosus mothers against decapentaplegic 5 0.0169 0.0635 0.2394
Echinococcus multilocularis peptidase Clp (S14 family) 0.0151 0.0561 0.2115
Loa Loa (eye worm) hypothetical protein 0.0322 0.125 0.1248
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0067 0.0501
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0231 0.0882 1
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0071 0.0239 0.102
Loa Loa (eye worm) pyruvate kinase 0.0022 0.0041 0.0038
Loa Loa (eye worm) isocitrate dehydrogenase 0.0082 0.0282 0.028
Schistosoma mansoni dep domain containing protein 0.0018 0.0024 0.0089
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0071 0.0239 0.0236
Trichomonas vaginalis ran, putative 0.0021 0.0035 0.0138
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0071 0.0239 0.102
Loa Loa (eye worm) hypothetical protein 0.0018 0.0024 0.0021
Schistosoma mansoni tar DNA-binding protein 0.0667 0.2644 1
Brugia malayi Smad1 0.0169 0.0635 0.0633
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0013 0.0003 0.001
Brugia malayi isocitrate dehydrogenase 0.0082 0.0282 0.028
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0082 0.0282 0.7248
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0154 0.0151
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0018 0.0024 0.008
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0067 0.0501
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.0003 0.001
Trypanosoma brucei pyruvate kinase 1, putative 0.0022 0.0041 0.0176
Leishmania major importin beta-1 subunit, putative 0.0023 0.0044 0.0253
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0082 0.0282 0.7248
Echinococcus multilocularis peregrin 0.0029 0.0067 0.0243
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0594 0.2349 1
Echinococcus multilocularis pyruvate kinase 0.0018 0.0022 0.0073
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0018 0.0024 0.0146
Brugia malayi Calcitonin receptor-like protein seb-1 0.0471 0.1852 0.185
Schistosoma mansoni dishevelled 0.0018 0.0024 0.0089
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0231 0.0882 0.333
Plasmodium vivax ataxin-2 like protein, putative 0.0105 0.0376 0.4023
Echinococcus granulosus ornithine aminotransferase 0.0071 0.0239 0.0894
Echinococcus granulosus tar DNA binding protein 0.0667 0.2644 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0035 0.0032
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0109 0.0391 0.1471
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0594 0.2349 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0149 0.0552 0.055
Loa Loa (eye worm) MH2 domain-containing protein 0.0169 0.0635 0.0633
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0071 0.0239 0.102
Loa Loa (eye worm) hypothetical protein 0.0231 0.0882 0.088
Loa Loa (eye worm) transcription factor SMAD2 0.2487 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0091 0.0089
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0024 0.0021
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0169 0.0635 0.2402
Echinococcus granulosus peregrin 0.0029 0.0067 0.0243
Giardia lamblia Fructose-bisphosphate aldolase 0.0594 0.2349 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0231 0.0882 1
Echinococcus multilocularis snurportin 1 0.0304 0.1179 0.4454
Loa Loa (eye worm) nuclear factor I 0.0094 0.0329 0.0326
Echinococcus multilocularis ornithine aminotransferase 0.0071 0.0239 0.0894
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0071 0.0239 0.102

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.067 uM Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 assessed as inhibition of [3H]hypoxanthine incorporation ChEMBL. 19879150
IC50 (functional) = 0.25 uM Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 assessed as inhibition of [3H]hypoxanthine incorporation ChEMBL. 19879150
IC50 (functional) = 0.25 uM Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FCR3/Gambia assessed as inhibition of [3H]hypoxanthine incorporation ChEMBL. 19879150
IC50 (functional) = 0.3 uM Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Bre1 assessed as inhibition of [3H]hypoxanthine incorporation ChEMBL. 19879150
IC50 (ADMET) = 0.6 uM Cytotoxicity against human KB cells after 72 hrs by MTS assay ChEMBL. 19879150
Inhibition (functional) = 0.04 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 1.49 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 2.17 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 7 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 52 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 62 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 100 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 4.38 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 7 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 52 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 62 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 101 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.14 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.73224 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 19879150
Homo sapiens ChEMBL23 19879150

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

1 literature reference was collected for this gene.

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