Detailed information for compound 1652266

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.695 | Formula: C16H11Cl3N2OS
  • H donors: 0 H acceptors: 2 LogP: 5.57 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)Sc1nc(nc2c1cccc2)C(Cl)(Cl)Cl
  • InChi: 1S/C16H11Cl3N2OS/c1-22-10-6-8-11(9-7-10)23-14-12-4-2-3-5-13(12)20-15(21-14)16(17,18)19/h2-9H,1H3
  • InChiKey: YMDBLDWASOAGRL-UHFFFAOYSA-N  


Substructure search Similarity search

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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
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0699 0.5844
Schistosoma mansoni hypothetical protein 0.0167 0.5398 0.5398
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0227 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0762 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0124 0.0124
Schistosoma mansoni cpg binding protein 0.0094 0.2816 0.2816
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0762 1
Trypanosoma cruzi ISWI complex protein 0.0016 0.006 0.0785
Loa Loa (eye worm) hypothetical protein 0.0083 0.2449 0.2449
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.1196 1
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0198 0.2599
Schistosoma mansoni cpg binding protein 0.0094 0.2816 0.2816
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0223 0.2922
Trichomonas vaginalis helicase, putative 0.002 0.0198 0.2599
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0027 0.0452 0.0452
Schistosoma mansoni ap endonuclease 0.0019 0.0188 0.0188
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0198 0.2599
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.1196 1
Echinococcus granulosus tar DNA binding protein 0.0061 0.1663 0.1663
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0223 0.2922
Loa Loa (eye worm) hypothetical protein 0.0028 0.0486 0.0486
Schistosoma mansoni ran 0.0021 0.0227 0.0227
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.1196 1
Schistosoma mansoni DNA polymerase eta 0.002 0.0223 0.0223
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0161 0.5178 0.5178
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1168 0.1168
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0223 0.1863
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0297 1 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1663 0.1663
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0223 0.2922
Loa Loa (eye worm) hypothetical protein 0.0036 0.0768 0.0768
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.1196 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0188 0.1568
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.1663 0.211
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0332 0.2773
Loa Loa (eye worm) TAR-binding protein 0.0061 0.1663 0.1663
Brugia malayi PHD-finger family protein 0.0031 0.0585 0.0742
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0811 0.0811
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0223 0.2922
Loa Loa (eye worm) hypothetical protein 0.0036 0.0768 0.0768
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0762 0.0967
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0223 0.2922
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0191 0.0191
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.1196 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0762 0.6375
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0223 0.2922
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0223 0.2922
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0184 0.6011 0.6011
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1168 0.1168
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0027 0.0452 0.0452
Echinococcus granulosus importin subunit beta 1 0.0028 0.0486 0.0486
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0227 0.042
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0191 0.0191
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0486 0.6379
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0022 0.0265 0.0265
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0146 0.0146
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0223 0.0223
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0198 0.2599
Loa Loa (eye worm) hypothetical protein 0.0048 0.1196 0.1196
Loa Loa (eye worm) hypothetical protein 0.0042 0.0986 0.0986
Onchocerca volvulus 0.0048 0.1196 0.4293
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0223 0.2922
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.1851 0.1851
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.1851 0.1851
Toxoplasma gondii histone lysine methyltransferase SET1 0.0167 0.5402 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0191 0.0191
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0188 0.2443
Loa Loa (eye worm) hypothetical protein 0.0019 0.0191 0.0191
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0188 0.246
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0332 0.0614
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.5178 0.5178
Brugia malayi RNA, U transporter 1 0.0079 0.2299 0.2917
Trypanosoma brucei ISWI complex protein 0.0016 0.006 0.0785
Echinococcus granulosus dna polymerase eta 0.002 0.0223 0.0223
Schistosoma mansoni zinc finger protein 0.0025 0.039 0.039
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.1196 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1663 0.1663
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0762 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0223 0.2922
Echinococcus multilocularis geminin 0.0167 0.5398 0.5398
Loa Loa (eye worm) hypothetical protein 0.0073 0.2077 0.2077
Entamoeba histolytica Ran family GTPase 0.0021 0.0227 0.1896
Entamoeba histolytica hypothetical protein 0.0023 0.0332 0.2773
Brugia malayi hypothetical protein 0.0237 0.7883 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0161 0.5178 0.6569
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0223 0.2922
Plasmodium falciparum importin beta, putative 0.0028 0.0486 0.6333
Schistosoma mansoni alpha glucosidase 0.0036 0.0762 0.0762
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0188 0.1568
Loa Loa (eye worm) hypothetical protein 0.0049 0.123 0.123
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.03 0.3939
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0188 0.0188
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0198 0.2599
Trypanosoma brucei unspecified product 0.002 0.0223 0.2922
Brugia malayi CXXC zinc finger family protein 0.0087 0.2571 0.3262
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0227 0.2973
Leishmania major GTP-binding protein, putative 0.0021 0.0227 0.1896
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0762 0.0762
Giardia lamblia DINP protein human, muc B family 0.002 0.0223 0.9008
Schistosoma mansoni eyes absent homolog 0.0093 0.279 0.279
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0227 0.2973
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0223 0.0223
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.1196 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1663 0.1663
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0223 0.2922
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0028 0.0498 0.0498
Trypanosoma brucei glucosidase, putative 0.0036 0.0762 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0198 0.2599
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1663 0.1663
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0762 1
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0198 0.2599
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.2449 0.2449
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0762 0.1411
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.002 0.0198 0.2599
Onchocerca volvulus 0.0083 0.2449 0.8793
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0022 0.0265 0.0265
Echinococcus multilocularis zinc finger protein 0.0025 0.039 0.039
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0188 0.0188
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0227 0.0227
Brugia malayi Importin beta-1 subunit 0.0028 0.0486 0.0617
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0762 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0198 0.2599
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0223 0.0223
Schistosoma mansoni survival motor neuron protein 0.0048 0.1212 0.1212
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0762 0.6375
Echinococcus granulosus dna polymerase kappa 0.002 0.0223 0.0223
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0699 0.5844
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0223 0.2922
Brugia malayi Bromodomain containing protein 0.0039 0.0897 0.1138
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0124 0.0124
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.1196 1
Brugia malayi AMP-binding enzyme family protein 0.0048 0.1196 0.1517
Loa Loa (eye worm) histone methyltransferase 0.0027 0.0452 0.0452
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.1212 0.1538
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0198 0.2599
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0227 0.2952
Schistosoma mansoni hypothetical protein 0.0167 0.5398 0.5398
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.1196 1
Onchocerca volvulus 0.0048 0.1212 0.4352
Echinococcus multilocularis dna polymerase kappa 0.002 0.0223 0.0223
Brugia malayi hypothetical protein 0.0093 0.279 0.3539
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0191 0.0191
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.03 0.3939
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0762 1
Echinococcus multilocularis tar DNA binding protein 0.0061 0.1663 0.1663
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0198 0.2599
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0223 0.1863
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0223 0.1863
Loa Loa (eye worm) RNA binding protein 0.0061 0.1663 0.1663
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.5178 0.5178
Loa Loa (eye worm) hypothetical protein 0.004 0.09 0.09
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0022 0.0265 0.0265
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0699 0.5844
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0028 0.0498 0.0498
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0223 0.0283
Toxoplasma gondii exonuclease III APE 0.0019 0.0188 0.0347
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1168 0.1168
Trichomonas vaginalis importin beta-1, putative 0.0023 0.03 0.3939
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0223 0.2922
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.7883 0.7883
Echinococcus granulosus cpg binding protein 0.0094 0.2816 0.2816
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0188 0.0188
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1663 0.1663
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0486 0.0486
Brugia malayi TAR-binding protein 0.0061 0.1663 0.211
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0188 0.246
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0332 0.2773
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0223 0.1863
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1168 0.1168
Leishmania major hypothetical protein, conserved 0.0016 0.006 0.0501
Echinococcus multilocularis dna polymerase eta 0.002 0.0223 0.0223
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.2449 0.2449
Plasmodium vivax importin-beta 2, putative 0.0028 0.0486 0.6333
Brugia malayi Bromodomain containing protein 0.0082 0.2408 0.3055
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0198 0.2599
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0198 0.2599
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0227 0.2973
Echinococcus granulosus fetal alzheimer antigen falz 0.0028 0.0498 0.0498
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0811 0.0811
Mycobacterium ulcerans hypothetical protein 0.0048 0.1196 1
Schistosoma mansoni importin beta-1 0.0028 0.0486 0.0486
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.1196 1
Entamoeba histolytica hypothetical protein 0.0023 0.03 0.2512
Brugia malayi AMP-binding enzyme family protein 0.0048 0.1196 0.1517
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0332 0.2773
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0332 0.2773
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0188 0.246
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0223 0.2922
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0188 0.246
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.1663 0.1663
Onchocerca volvulus 0.0087 0.2571 0.9231
Loa Loa (eye worm) hypothetical protein 0.0036 0.0768 0.0768
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0223 0.2922
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0198 0.2599
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1168 0.1168
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.1196 1
Schistosoma mansoni bromodomain containing protein 0.007 0.1981 0.1981
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.1196 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.002 0.0198 0.2599
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.7883 0.7883
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0223 0.2922
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1168 0.1168
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0198 0.2599
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0022 0.0265 0.0265
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0332 0.2773
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0124 0.0124
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0332 0.0614
Schistosoma mansoni ran 0.0021 0.0227 0.0227
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0332 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.1196 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.03 0.3939
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0762 0.0762
Schistosoma mansoni hypothetical protein 0.0297 1 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0332 0.4319
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1168 0.1168
Loa Loa (eye worm) hypothetical protein 0.0048 0.1196 0.1196
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0188 0.2443
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0768 1
Schistosoma mansoni cpg binding protein 0.0087 0.2571 0.2571
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.2449 0.3107
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0223 0.2922
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0223 0.1863
Loa Loa (eye worm) hypothetical protein 0.0036 0.0768 0.0768
Onchocerca volvulus 0.0093 0.2785 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0762 0.0762
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0768 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0188 0.1568
Loa Loa (eye worm) hypothetical protein 0.0036 0.0768 0.0768
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.1196 1
Brugia malayi AMP-binding enzyme family protein 0.0048 0.1196 0.1517
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0188 0.0238
Loa Loa (eye worm) hypothetical protein 0.0048 0.1196 0.1196
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0188 0.246
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1168 0.1168
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0762 0.6375
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1168 0.1482
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0198 0.2599
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0486 0.09
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0332 0.435
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.1196 1
Trichomonas vaginalis ran, putative 0.0021 0.0227 0.2973
Leishmania major importin beta-1 subunit, putative 0.0023 0.03 0.2512
Echinococcus granulosus geminin 0.0167 0.5398 0.5398
Loa Loa (eye worm) hypothetical protein 0.0093 0.279 0.279
Echinococcus multilocularis cpg binding protein 0.0094 0.2816 0.2816
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0223 0.0223
Echinococcus granulosus zinc finger protein 0.0025 0.039 0.039
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0486 0.6379
Schistosoma mansoni hypothetical protein 0.0021 0.0254 0.0254
Loa Loa (eye worm) hypothetical protein 0.0237 0.7883 0.7883
Leishmania major DNA polymerase eta, putative 0.002 0.0223 0.1863
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.1196 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0227 0.0288
Brugia malayi RNA binding protein 0.0061 0.1663 0.211
Echinococcus granulosus lysosomal alpha glucosidase 0.0161 0.5178 0.5178
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0227 0.0227
Brugia malayi F/Y-rich N-terminus family protein 0.0029 0.051 0.0647
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0223 0.1863
Trypanosoma cruzi ISWI complex protein 0.0016 0.006 0.0785
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0254 0.0254
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0762 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0768 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0124 0.0124
Schistosoma mansoni alpha-glucosidase 0.0138 0.4388 0.4388
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0223 0.2922
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0762 1
Echinococcus multilocularis snurportin 1 0.0297 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0223 0.2922
Leishmania major DNA polymerase kappa, putative 0.002 0.0223 0.1863
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0223 0.0283
Schistosoma mansoni hypothetical protein 0.0016 0.006 0.006
Schistosoma mansoni alpha-glucosidase 0.0138 0.4388 0.4388
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0227 0.2952
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0762 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0036 0.0768 0.6421
Loa Loa (eye worm) CXXC zinc finger family protein 0.0087 0.2571 0.2571
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0762 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0188 0.1568
Loa Loa (eye worm) hypothetical protein 0.002 0.0223 0.0223
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0223 0.0223
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0332 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0768 0.6421
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0198 0.2599
Schistosoma mansoni hypothetical protein 0.0048 0.1212 0.1212
Schistosoma mansoni zinc finger protein 0.0016 0.006 0.006
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.1196 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0699 0.5844
Echinococcus granulosus mixed lineage leukemia protein mll 0.0022 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0093 0.279 0.279
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0227 0.0227
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0223 0.2922
Schistosoma mansoni ap endonuclease 0.0019 0.0188 0.0188
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0223 0.2922
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0332 0.4319
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.2449 0.2449
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0762 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 8 uM Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay ChEMBL. 21852132
IC50 (functional) = 2.5 uM Antiplasmodial activity against chloroquine, pyrimethamine, and proguanil-resistant Plasmodium falciparum K1 infected in human A+ erythrocytes after 72 hrs by SYBR Green-I fluorescence-based method ChEMBL. 21852132

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 21852132

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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