Detailed information for compound 598312

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 551.489 | Formula: C24H28Cl2N6O3S
  • H donors: 3 H acceptors: 5 LogP: 3.06 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc2c(n1)c(CCN1C[C@@H]([C@@H](C1)O)CNCc1ccc3c(n1)NC(=O)CS3)c(cn2)Cl.Cl
  • InChi: 1S/C24H27ClN6O3S.ClH/c1-34-22-5-3-18-23(30-22)16(17(25)10-27-18)6-7-31-11-14(19(32)12-31)8-26-9-15-2-4-20-24(28-15)29-21(33)13-35-20;/h2-5,10,14,19,26,32H,6-9,11-13H2,1H3,(H,28,29,33);1H/t14-,19+;/m0./s1
  • InChiKey: RRXWHNPIIRFRBJ-OWRLQCHVSA-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
Trichomonas vaginalis ran, putative 0.0022 0.0106 0.0233
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.033 0.071
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0614 0.1322
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0017 0.0039 0.0016
Echinococcus granulosus tar DNA binding protein 0.0062 0.0614 0.1321
Trypanosoma cruzi DNA polymerase eta, putative 0.0065 0.0662 0.1428
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0106 0.0186
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.022 0.0441
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0077 0.0121
Plasmodium vivax acetyl-CoA synthetase, putative 0.0017 0.0039 0.0797
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.014 0.0262
Echinococcus granulosus dna polymerase eta 0.0065 0.0662 0.1428
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.022 0.6758
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0139 0.6331
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0039 0.033 0.1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.033 0.0686
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.022 0.0198
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0207 0.6298
Brugia malayi latrophilin 2 splice variant baaae 0.024 0.2901 0.6242
Leishmania major DNA polymerase eta, putative 0.0065 0.0662 0.1448
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0614 0.1321
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0106 0.0186
Echinococcus multilocularis GPCR, family 2 0.0111 0.125 0.1229
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0614 0.1322
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0077 0.2745
Onchocerca volvulus 0.0047 0.0429 0.1339
Schistosoma mansoni ran 0.0022 0.0106 0.0186
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0365 0.4497 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0352 0.4324 0.9303
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0139 0.6331
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0111 0.125 0.2742
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.014 0.0302
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0077 0.2945
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0077 0.0847
Loa Loa (eye worm) hypothetical protein 0.0031 0.022 0.0474
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0017 0.0039 0.0083
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.033 0.4802
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0017 0.0039 0.0036
Brugia malayi Pre-SET motif family protein 0.0215 0.2571 0.5532
Schistosoma mansoni ap endonuclease 0.002 0.0077 0.0121
Schistosoma mansoni hypothetical protein 0.0111 0.125 0.2742
Schistosoma mansoni transcription factor LCR-F1 0.0107 0.1197 0.2624
Onchocerca volvulus 0.0148 0.1722 0.5782
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0017 0.0039 0.0538
Brugia malayi hypothetical protein 0.0016 0.0029 0.0061
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0614 0.1321
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.022 0.0441
Trypanosoma brucei DNA polymerase eta, putative 0.0065 0.0662 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.033 0.0695
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0614 0.1322
Schistosoma mansoni hypothetical protein 0.0167 0.1957 0.4324
Trypanosoma brucei unspecified product 0.0039 0.033 0.4802
Schistosoma mansoni hypothetical protein 0.0107 0.1197 0.2624
Brugia malayi Pre-SET motif family protein 0.0031 0.022 0.0474
Schistosoma mansoni smad1 5 8 and 0.0025 0.014 0.0262
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0039 0.0036
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.022 0.0198
Leishmania major DNA polymerase eta, putative 0.0038 0.0315 0.0661
Loa Loa (eye worm) hypothetical protein 0.0352 0.4324 0.9303
Leishmania major acetyl-CoA synthetase, putative 0.0017 0.0039 0.0036
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0139 0.026
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0077 0.0054
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0039 0.0036
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0039 0.0083
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.033 0.0307
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0039 0.0083
Echinococcus multilocularis geminin 0.0167 0.1957 0.1939
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0077 0.0121
Brugia malayi Smad1 0.0025 0.014 0.0302
Loa Loa (eye worm) hypothetical protein 0.0231 0.2778 0.5977
Schistosoma mansoni Smad4 0.0025 0.014 0.0262
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0429 0.0922
Entamoeba histolytica hypothetical protein 0.0107 0.1197 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0083
Brugia malayi MH2 domain containing protein 0.0025 0.014 0.0302
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.1677 0.3698
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0106 0.2858
Plasmodium falciparum importin beta, putative 0.003 0.0207 1
Echinococcus multilocularis snurportin 1 0.0317 0.3886 0.3872
Leishmania major acetyl-CoA synthetase, putative 0.0017 0.0039 0.0036
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0111 0.125 0.1229
Onchocerca volvulus 0.0031 0.022 0.0623
Schistosoma mansoni hypothetical protein 0.0317 0.3886 0.8635
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.1677 0.1658
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0106 0.0084
Loa Loa (eye worm) hypothetical protein 0.0148 0.1722 0.3706
Entamoeba histolytica hypothetical protein 0.0107 0.1197 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0077 0.0166
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0365 0.4497 0.4484
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0017 0.0039 0.0035
Plasmodium vivax SET domain protein, putative 0.0031 0.022 1
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0017 0.0039 0.0246
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.033 0.0686
Echinococcus granulosus GPCR family 2 0.0111 0.125 0.2742
Loa Loa (eye worm) hypothetical protein 0.0111 0.125 0.2689
Brugia malayi hypothetical protein 0.0107 0.1197 0.2575
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0017 0.0039 0.0036
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0135 0.033
Brugia malayi hypothetical protein 0.0024 0.0139 0.03
Schistosoma mansoni ap endonuclease 0.002 0.0077 0.0121
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0017 0.0039 0.0036
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0039 0.0083
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0083
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0083
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0023 0.005
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0106 0.1306
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.033 0.4802
Echinococcus multilocularis smad 0.0025 0.014 0.0117
Echinococcus granulosus dna polymerase kappa 0.0039 0.033 0.0686
Schistosoma mansoni importin beta-1 0.003 0.0207 0.0411
Brugia malayi RNA binding protein 0.0062 0.0614 0.1322
Loa Loa (eye worm) hypothetical protein 0.0065 0.0662 0.1424
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0039 0.0036
Brugia malayi hypothetical protein 0.0231 0.2778 0.5977
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0017 0.0039 0.0035
Brugia malayi MH1 domain containing protein 0.0025 0.014 0.0302
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0017 0.0039 0.0036
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0614 0.0593
Echinococcus granulosus geminin 0.0167 0.1957 0.4324
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.1677 0.3698
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0365 0.4497 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0077 0.0132
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.2778 0.2761
Echinococcus multilocularis importin subunit beta 1 0.003 0.0207 0.0184
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0145 0.1677 0.3609
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0377 0.4648 1
Onchocerca volvulus 0.0244 0.295 1
Schistosoma mansoni hypothetical protein 0.0167 0.1957 0.4324
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0039 0.0083
Echinococcus granulosus long chain fatty acid transport protein 4 0.0365 0.4497 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0111 0.125 0.1229
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0017 0.0039 0.0855
Schistosoma mansoni FFA transport protein 0.0365 0.4497 1
Brugia malayi AMP-binding enzyme family protein 0.0377 0.4648 1
Loa Loa (eye worm) oxidoreductase 0.0017 0.0039 0.0083
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0106 0.0229
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0017 0.0039 0.0538
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.033 0.4802
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0039 0.0036
Leishmania major fatty acid transporter protein-like protein 0.036 0.4436 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.033 0.4802
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0174 0.2357
Brugia malayi Calcitonin receptor-like protein seb-1 0.0352 0.4324 0.9303
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.033 0.4802
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0215 0.2571 0.5532
Schistosoma mansoni hypothetical protein 0.0047 0.0429 0.0906
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.036 0.4436 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.0429 0.0906
Schistosoma mansoni hypothetical protein 0.024 0.2901 0.6433
Loa Loa (eye worm) MH2 domain-containing protein 0.036 0.4429 0.9528
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.014 0.0262
Leishmania major hypothetical protein, conserved 0.0024 0.0139 0.0264
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0017 0.0039 0.0036
Schistosoma mansoni hypothetical protein 0.0111 0.125 0.2742
Leishmania major importin beta-1 subunit, putative 0.0024 0.0135 0.0254
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.033 0.4802
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0017 0.0039 0.0036
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0039 0.0083
Schistosoma mansoni hypothetical protein 0.0111 0.125 0.2742
Schistosoma mansoni smad1 5 8 and 0.0025 0.014 0.0262
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0106 0.0229
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.014 0.0117
Loa Loa (eye worm) Smad1 0.0025 0.014 0.0302
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.033 0.0686
Toxoplasma gondii propionate-CoA ligase 0.0017 0.0039 0.0538
Brugia malayi Importin beta-1 subunit 0.003 0.0207 0.0445
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.033 0.0686
Loa Loa (eye worm) transcription factor SMAD2 0.036 0.4429 0.9528
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0017 0.0039 0.0246
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.033 0.0686
Brugia malayi hypothetical protein 0.0148 0.1722 0.3706
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.033 0.4802
Trypanosoma brucei unspecified product 0.0027 0.0174 0.2357
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.022 0.0441
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0017 0.0039 0.0083
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.033 0.4802
Giardia lamblia DINP protein human, muc B family 0.0039 0.033 1
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.036 0.4436 1
Echinococcus multilocularis Smad4 0.0025 0.014 0.0117
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0139 0.5901
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.1677 0.3698
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.014 0.0262
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0039 0.033 0.0695
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0017 0.0039 0.0035
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.033 0.4802
Toxoplasma gondii exonuclease III APE 0.002 0.0077 0.1855
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.022 0.0441
Loa Loa (eye worm) hypothetical protein 0.003 0.0207 0.0445
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0077 0.0166
Leishmania major GTP-binding protein, putative 0.0022 0.0106 0.0189
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0614 0.1321
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0106 0.0186
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.1677 0.3698
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0139 0.1822
Brugia malayi RNA, U transporter 1 0.0085 0.0908 0.1953
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0135 0.033
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.022 0.0441
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0174 0.2357
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0017 0.0039 0.0083
Brugia malayi MH1 domain containing protein 0.0025 0.014 0.0302
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0206 0.0408
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0315 0.0652
Echinococcus multilocularis dna polymerase eta 0.0065 0.0662 0.064
Schistosoma mansoni acetyl-CoA synthetase 0.0017 0.0039 0.0035
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.033 0.0686
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0106 0.1159
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0111 0.125 0.2689
Entamoeba histolytica hypothetical protein 0.0107 0.1197 1
Brugia malayi MH2 domain containing protein 0.0025 0.014 0.0302
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0017 0.0039 0.0036
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.033 0.4802
Loa Loa (eye worm) latrophilin receptor protein 2 0.0111 0.125 0.2689
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.014 0.0117
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.2778 0.6158
Entamoeba histolytica hypothetical protein 0.0024 0.0135 0.083
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.033 0.4802
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.033 0.0686
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0207 0.2877
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0077 0.5
Entamoeba histolytica hypothetical protein 0.0107 0.1197 1
Brugia malayi ImpB/MucB/SamB family protein 0.0065 0.0662 0.1424
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0077 0.0332
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0139 0.026
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0077 0.0083
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.033 0.0631
Trichomonas vaginalis DNA polymerase eta, putative 0.0039 0.033 0.1
Leishmania major 4-coumarate:coa ligase-like protein 0.0017 0.0039 0.0036
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0077 0.0121
Echinococcus multilocularis dna polymerase kappa 0.0039 0.033 0.0307
Loa Loa (eye worm) RNA binding protein 0.0062 0.0614 0.1322
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.033 0.4802
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.1677 0.1658
Schistosoma mansoni DNA polymerase eta 0.0065 0.0662 0.1428
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0135 0.033
Leishmania major 4-coumarate:coa ligase-like protein 0.0017 0.0039 0.0036
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0077 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0107 0.1197 0.1177
Trichomonas vaginalis set domain proteins, putative 0.0244 0.295 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.1677 0.3698
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0207 0.2877
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0377 0.4648 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0039 0.0036
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0317 0.3886 0.8361
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0077 0.0123
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0017 0.0039 0.0035
Leishmania major DNA polymerase kappa, putative 0.0039 0.033 0.0695
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.033 0.071
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.014 0.0302
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0017 0.0039 0.0036
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0083
Plasmodium vivax importin-beta 2, putative 0.003 0.0207 0.932
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0107 0.1197 0.2624
Schistosoma mansoni ran 0.0022 0.0106 0.0186
Loa Loa (eye worm) hypothetical protein 0.0024 0.0139 0.03
Loa Loa (eye worm) hypothetical protein 0.024 0.2901 0.6242
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0106 0.423
Brugia malayi Latrophilin receptor protein 2 0.0111 0.125 0.2689
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0174 0.2357
Trypanosoma brucei unspecified product 0.0027 0.0174 0.2357
Leishmania major 4-coumarate:coa ligase-like protein 0.0017 0.0039 0.0036
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0614 0.1321
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0135 0.025
Entamoeba histolytica Ran family GTPase 0.0022 0.0106 0.0585
Schistosoma mansoni smad1 5 8 and 0.0025 0.014 0.0262
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0017 0.0039 0.0035
Echinococcus granulosus snurportin 1 0.0317 0.3886 0.8635
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0145 0.1677 0.3609
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.033 0.0631
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0077 0.0132
Brugia malayi MH2 domain containing protein 0.036 0.4429 0.9528
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0315 1
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0139 0.3988
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0352 0.4324 0.9303
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.033 0.0695
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0111 0.125 0.2742
Schistosoma mansoni smad 0.0025 0.014 0.0262
Echinococcus granulosus smad 0.0025 0.014 0.0262
Brugia malayi TAR-binding protein 0.0062 0.0614 0.1322
Schistosoma mansoni hypothetical protein 0.0111 0.125 0.2742
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0017 0.0039 0.0036
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0614 0.1321
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0023 0.005
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0106 0.4538
Echinococcus granulosus Smad4 0.0025 0.014 0.0262
Entamoeba histolytica deoxycytidyl transferase, putative 0.0039 0.033 0.2513
Echinococcus granulosus importin subunit beta 1 0.003 0.0207 0.0411
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.033 0.4802
Brugia malayi isocitrate dehydrogenase 0.0015 0.0023 0.005
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0039 0.0083
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0077 0.0123
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0083

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 2 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 2.02 % 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) = 2.07 % 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) = 3 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 5.41 % 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) = 16 % 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) = 94 % 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) = 4.76 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 2 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 3 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 16 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 94 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 1.00197 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

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

Bibliographic References

1 literature reference was collected for this gene.

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