Detailed information for compound 593938

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 553.575 | Formula: C29H30F3N5O3
  • H donors: 3 H acceptors: 4 LogP: 2.31 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.O=C(c1ccc2c(c1)cccc2)Nc1cccc(c1)CN1CCCN(CC1)Cc1[nH]ccn1
  • InChi: 1S/C27H29N5O.C2HF3O2/c33-27(24-10-9-22-6-1-2-7-23(22)18-24)30-25-8-3-5-21(17-25)19-31-13-4-14-32(16-15-31)20-26-28-11-12-29-26;3-2(4,5)1(6)7/h1-3,5-12,17-18H,4,13-16,19-20H2,(H,28,29)(H,30,33);(H,6,7)
  • InChiKey: WQCDFBAGZBDSEX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0152 0.4538 0.4496
Echinococcus multilocularis MAM 0.0016 0.0307 0.0285
Schistosoma mansoni terminal deoxycytidyl transferase 0.0152 0.4538 0.4526
Brugia malayi Protein kinase domain containing protein 0.0016 0.0307 0.0265
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.012 0.0098
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0036 0.0919 0.2057
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.012 0.0098
Trichomonas vaginalis glutaminase, putative 0.029 0.8858 1
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0945 0.0874
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0036 0.0919 0.0899
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0752 0.0731
Trypanosoma cruzi DNA polymerase eta, putative 0.023 0.699 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.012 0.0098
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.012 0.0098
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0054 0.1472 0.3625
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0708 0.0635
Trypanosoma cruzi DNA polymerase kappa, putative 0.0178 0.5362 0.7604
Loa Loa (eye worm) hypothetical protein 0.0015 0.0271 0.0195
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.2091 0.2791
Leishmania major trypanothione reductase 0.0037 0.0945 0.1105
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0078 0.0056
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0961 0.0941
Echinococcus granulosus sodium and chloride dependent glycine 0.0036 0.0919 0.0899
Schistosoma mansoni thyroid hormone receptor 0.001 0.012 0.0098
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.012 0.0098
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0499 0.0865
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0752 0.1581
Brugia malayi ImpB/MucB/SamB family protein 0.023 0.699 0.7874
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.012 0.0052
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.054 0.0509
Trypanosoma brucei DNA polymerase IV, putative 0.0178 0.5362 0.7604
Brugia malayi Steroid receptor seven-up type 2 0.001 0.012 0.0052
Schistosoma mansoni sodium/chloride dependent transporter 0.0036 0.0919 0.0899
Loa Loa (eye worm) hypothetical protein 0.0016 0.0307 0.0231
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0571 0.0554
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0237 0.7217 0.7211
Loa Loa (eye worm) hypothetical protein 0.0031 0.0752 0.0679
Schistosoma mansoni thyroid hormone receptor 0.001 0.012 0.0098
Loa Loa (eye worm) hypothetical protein 0.0036 0.0919 0.0848
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.012 0.0052
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.012 0.0098
Mycobacterium ulcerans DNA polymerase IV 0.0178 0.5362 0.5965
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0043
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0327 1 1
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0024 0.054 0.1139
Leishmania major DNA polymerase kappa, putative 0.0047 0.1268 0.158
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0237 0.7217 0.7211
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0571 0.0642
Trypanosoma cruzi DNA polymerase eta, putative 0.0126 0.3719 0.5187
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0036 0.0919 0.0848
Schistosoma mansoni coup transcription factor 0.001 0.012 0.0098
Plasmodium falciparum amino acid transporter, putative 0.0036 0.0919 0.6756
Loa Loa (eye worm) glutaminase 2 0.029 0.8858 0.8849
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0571 0.0642
Leishmania major hypothetical protein, conserved 0.0207 0.6262 0.8928
Schistosoma mansoni DNA polymerase IV / kappa 0.0047 0.1268 0.1248
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.012 0.0052
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0126 0.3719 1
Mycobacterium tuberculosis Conserved protein 0.0024 0.054 0.1139
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.012 0.0098
Echinococcus granulosus importin subunit beta 1 0.0031 0.0752 0.0731
Mycobacterium tuberculosis Conserved hypothetical protein 0.0152 0.4538 0.9569
Echinococcus granulosus sodium and chloride dependent glycine 0.0036 0.0919 0.0899
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.012 0.0052
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.012 0.0052
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0152 0.4538 0.4526
Leishmania major importin beta-1 subunit, putative 0.0025 0.0571 0.0554
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.012 0.0052
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.012 0.0043
Brugia malayi nuclear hormone receptor 0.001 0.012 0.0052
Loa Loa (eye worm) glutaminase 0.029 0.8858 0.8849
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0078 0.0056
Onchocerca volvulus 0.0016 0.0307 0.2336
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.012 0.0098
Trypanosoma brucei DNA damage repair protein, putative 0.0047 0.1268 0.158
Trypanosoma brucei DNA polymerase kappa, putative 0.0178 0.5362 0.7604
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0237 0.7217 0.7211
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0036 0.0919 0.0962
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0036 0.0919 0.0848
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0194 0.0172
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.012 0.0098
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0194 0.0136
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0036 0.0919 0.2057
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.012 0.0052
Onchocerca volvulus 0.0036 0.0919 1
Onchocerca volvulus 0.0015 0.0271 0.1887
Trichomonas vaginalis ran, putative 0.0023 0.0499 0.0561
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0499 0.0449
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.2091 0.2791
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0043
Trypanosoma brucei DNA polymerase kappa, putative 0.0111 0.3271 0.4527
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.012 0.0052
Loa Loa (eye worm) hypothetical protein 0.0036 0.0919 0.0848
Brugia malayi glutathione reductase 0.0037 0.0945 0.0992
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0036 0.0919 0.0899
Trypanosoma brucei chrX additional, unordered contigs 0.0047 0.1268 0.158
Trypanosoma brucei DNA polymerase kappa, putative 0.0111 0.3271 0.4527
Trypanosoma cruzi DNA damage repair protein, putative 0.0047 0.1268 0.158
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0027 0.0004
Trichomonas vaginalis mercuric reductase, putative 0.0013 0.0194 0.0216
Schistosoma mansoni cpg binding protein 0.0031 0.076 0.0739
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0024 0.054 0.04
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0084 0.2418 0.5099
Brugia malayi glutaminase DH11.1 0.029 0.8858 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.012 0.0098
Schistosoma mansoni nuclear hormone receptor 0.001 0.012 0.0098
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0043
Trypanosoma cruzi hypothetical protein, conserved 0.0047 0.1268 0.158
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0093 0.2711 0.5716
Onchocerca volvulus 0.0036 0.0919 1
Entamoeba histolytica hypothetical protein 0.0025 0.0571 0.0177
Trypanosoma brucei DNA polymerase kappa, putative 0.0111 0.3271 0.4527
Schistosoma mansoni ran 0.0023 0.0499 0.0478
Echinococcus granulosus cpg binding protein 0.0031 0.076 0.0739
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0024 0.054 0.0607
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0043
Echinococcus multilocularis sodium and chloride dependent glycine 0.0036 0.0919 0.0899
Echinococcus multilocularis dna polymerase kappa 0.0178 0.5362 0.5352
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0152 0.4538 0.4526
Loa Loa (eye worm) hypothetical protein 0.0036 0.0919 0.0848
Plasmodium vivax amine transporter, putative 0.0036 0.0919 0.6756
Schistosoma mansoni DNA polymerase eta 0.023 0.699 0.6984
Brugia malayi ecdysteroid receptor 0.001 0.012 0.0052
Onchocerca volvulus 0.0029 0.0708 0.7354
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0084 0.2418 0.5099
Plasmodium vivax importin-beta 2, putative 0.0031 0.0752 0.5192
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0036 0.0919 0.0962
Loa Loa (eye worm) hypothetical protein 0.0237 0.7217 0.7195
Trypanosoma cruzi hypothetical protein, conserved 0.0207 0.6262 0.8928
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.012 0.0098
Loa Loa (eye worm) hypothetical protein 0.0073 0.2091 0.2029
Loa Loa (eye worm) norepinephrine transporter 0.0036 0.0919 0.0848
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0499 0.0671
Trypanosoma brucei DNA polymerase kappa, putative 0.0158 0.4743 0.6693
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.012 0.0043
Trypanosoma brucei DNA polymerase kappa, putative 0.0178 0.5362 0.7604
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0036 0.0919 0.0899
Mycobacterium ulcerans hypothetical protein 0.0024 0.054 0.04
Trypanosoma brucei DNA polymerase kappa, putative 0.0178 0.5362 0.7604
Schistosoma mansoni cpg binding protein 0.0031 0.076 0.0739
Onchocerca volvulus 0.0036 0.0919 1
Onchocerca volvulus 0.0016 0.0307 0.2336
Loa Loa (eye worm) hypothetical protein 0.023 0.699 0.6967
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0194 0.0172
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.012 0.0098
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.054 0.04
Loa Loa (eye worm) hypothetical protein 0.0036 0.0919 0.0848
Trypanosoma brucei DNA polymerase kappa, putative 0.0178 0.5362 0.7604
Leishmania major DNA polymerase eta, putative 0.023 0.699 1
Leishmania major DNA polymerase kappa, putative 0.0158 0.4743 0.6693
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.2711 0.5716
Leishmania major GTP-binding protein, putative 0.0023 0.0499 0.0449
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.012 0.0098
Trypanosoma cruzi DNA polymerase kappa, putative 0.0178 0.5362 0.7604
Loa Loa (eye worm) TK/ALK protein kinase 0.0016 0.0307 0.0231
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.054 0.0519
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0945 0.6998
Loa Loa (eye worm) glutathione reductase 0.0037 0.0945 0.0874
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0752 0.082
Trypanosoma brucei DNA polymerase eta, putative 0.023 0.699 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0919 0.6756
Plasmodium vivax glutathione reductase, putative 0.0037 0.0945 0.6998
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0013 0.0194 0.0409
Brugia malayi ImpB/MucB/SamB family protein 0.0152 0.4538 0.5082
Trypanosoma brucei DNA polymerase kappa, putative 0.0178 0.5362 0.7604
Echinococcus granulosus MAM 0.0016 0.0307 0.0285
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.012 0.0098
Loa Loa (eye worm) hypothetical protein 0.0015 0.0271 0.0195
Echinococcus multilocularis sodium and chloride dependent glycine 0.0036 0.0919 0.0899
Brugia malayi hypothetical protein 0.0016 0.0307 0.0265
Trypanosoma cruzi DNA polymerase kappa, putative 0.0178 0.5362 0.7604
Loa Loa (eye worm) hypothetical protein 0.0152 0.4541 0.4498
Loa Loa (eye worm) hypothetical protein 0.0036 0.0919 0.0848
Onchocerca volvulus 0.0015 0.0271 0.1887
Trypanosoma brucei hypothetical protein, conserved 0.0047 0.1268 0.158
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0036 0.0919 0.0899
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1731 0.1712
Loa Loa (eye worm) hypothetical protein 0.0036 0.0919 0.0848
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.012 0.0098
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0036 0.0919 0.0899
Echinococcus multilocularis snurportin 1 0.0327 1 1
Toxoplasma gondii hypothetical protein 0.0036 0.0919 0.2057
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0158 0.4743 0.6693
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0036 0.0919 0.0899
Trypanosoma brucei hypothetical protein, conserved 0.0047 0.1268 0.158
Onchocerca volvulus 0.0015 0.0271 0.1887
Brugia malayi Importin beta-1 subunit 0.0031 0.0752 0.0771
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0499 0.2842
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0499 0.0449
Trypanosoma cruzi DNA polymerase kappa, putative 0.0178 0.5362 0.7604
Leishmania major DNA polymerase eta, putative 0.0126 0.3719 0.5187
Loa Loa (eye worm) DOMON domain-containing protein 0.0015 0.0271 0.0195
Loa Loa (eye worm) hypothetical protein 0.0036 0.0919 0.0848
Schistosoma mansoni importin beta-1 0.0031 0.0752 0.0731
Mycobacterium tuberculosis Probable dehydrogenase 0.0084 0.2418 0.5099
Brugia malayi SEA domain containing protein 0.0015 0.0271 0.0224
Entamoeba histolytica deoxycytidyl transferase, putative 0.0152 0.4538 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.012 0.0098
Trypanosoma brucei unspecified product 0.0172 0.5158 0.7303
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.054 0.04
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0084 0.2418 0.5099
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0194 0.0172
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.012 0.0098
Schistosoma mansoni hypothetical protein 0.0016 0.0307 0.0285
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0499 0.0449
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.012 0.0052
Giardia lamblia DNA damage repair protein 0.0047 0.1268 0.236
Onchocerca volvulus 0.0036 0.0919 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.1524 0.3773
Loa Loa (eye worm) serotonin transporter b 0.0036 0.0919 0.0848
Toxoplasma gondii thioredoxin reductase 0.0037 0.0945 0.2131
Trypanosoma brucei unspecified product 0.0105 0.3066 0.4226
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.012 0.0043
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0009 0.0088 0.0016
Onchocerca volvulus 0.0015 0.0271 0.1887
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0036 0.0919 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0499 0.0425
Mycobacterium ulcerans glutaminase 0.029 0.8858 1
Plasmodium falciparum thioredoxin reductase 0.0037 0.0945 0.6998
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0571 0.0642
Schistosoma mansoni hypothetical protein 0.0016 0.0307 0.0285
Mycobacterium tuberculosis Probable reductase 0.0084 0.2418 0.5099
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.012 0.0043
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0158 0.4743 1
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.012 0.0052
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0009 0.0088 0.0016
Trichomonas vaginalis glutathione reductase, putative 0.0013 0.0194 0.0216
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.012 0.0052
Toxoplasma gondii hypothetical protein 0.0036 0.0919 0.2057
Brugia malayi CXXC zinc finger family protein 0.0029 0.0708 0.0721
Plasmodium falciparum glutathione reductase 0.0037 0.0945 0.6998
Brugia malayi Muscleblind-like protein 0.0152 0.4541 0.5085
Loa Loa (eye worm) steroid hormone receptor 0.001 0.012 0.0043
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.012 0.0098
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0036 0.0919 0.2057
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.012 0.0098
Echinococcus granulosus serotonin transporter 0.0036 0.0919 0.0899
Echinococcus multilocularis muscleblind protein 0.0152 0.4541 0.4529
Treponema pallidum sodium- and chloride- dependent transporter 0.0036 0.0919 1
Schistosoma mansoni hypothetical protein 0.0327 1 1
Leishmania major DNA damage repair protein, putative 0.0047 0.1268 0.158
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.012 0.0098
Trypanosoma brucei DNA polymerase kappa, putative 0.0178 0.5362 0.7604
Trypanosoma brucei DNA polymerase IV, putative 0.0172 0.5158 0.7303
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0036 0.0919 0.0899
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0194 0.5
Trypanosoma brucei DNA damage repair protein, putative 0.0047 0.1268 0.158
Trypanosoma brucei hypothetical protein, conserved 0.0207 0.6262 0.8928
Echinococcus granulosus dna polymerase eta 0.023 0.699 0.6984
Brugia malayi steroid hormone receptor 0.001 0.012 0.0052
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.012 0.0098
Onchocerca volvulus 0.0015 0.0271 0.1887
Trypanosoma brucei DNA polymerase kappa, putative 0.0178 0.5362 0.7604
Plasmodium falciparum importin beta, putative 0.0031 0.0752 0.5192
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.012 0.0052
Brugia malayi Thioredoxin reductase 0.0037 0.0945 0.0992
Brugia malayi hypothetical protein 0.0036 0.0919 0.0962
Trypanosoma cruzi DNA damage repair protein, putative 0.0047 0.1268 0.158
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0237 0.7217 0.7211
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0043
Mycobacterium ulcerans DNA polymerase IV 0.0178 0.5362 0.5965
Loa Loa (eye worm) hypothetical protein 0.0237 0.7217 0.7195
Plasmodium falciparum transporter, putative 0.0036 0.0919 0.6756
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0084 0.2418 0.5099
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0093 0.2711 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0499 0.0478
Trypanosoma cruzi hypothetical protein, conserved 0.0047 0.1268 0.158
Echinococcus multilocularis serotonin transporter 0.0036 0.0919 0.0899
Schistosoma mansoni hypothetical protein 0.0015 0.0271 0.0249
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0499 0.0478
Trypanosoma brucei DNA polymerase IV, putative 0.0178 0.5362 0.7604
Trypanosoma brucei trypanothione reductase 0.0037 0.0945 0.1105
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.012 0.0052
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.012 0.0098
Trypanosoma brucei unspecified product 0.0105 0.3066 0.4226
Loa Loa (eye worm) solute carrier family 6 member 4 0.0036 0.0919 0.0848
Schistosoma mansoni sodium/chloride dependent transporter 0.0036 0.0919 0.0899
Plasmodium vivax DNA repair protein REV1, putative 0.0047 0.1268 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.012 0.0052
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0194 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0036 0.0919 0.0899
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0499 0.2842
Giardia lamblia DINP protein human, muc B family 0.0158 0.4743 1
Echinococcus multilocularis FTZ F1 alpha 0.001 0.012 0.0098
Plasmodium falciparum DNA repair protein REV1, putative 0.0047 0.1268 1
Brugia malayi Muscle positioning protein 4 0.0015 0.0271 0.0224
Loa Loa (eye worm) hypothetical protein 0.0016 0.0307 0.0231
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0237 0.7217 0.7211
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0036 0.0919 0.0962
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0036 0.0919 0.0899
Trypanosoma cruzi hypothetical protein, conserved 0.0207 0.6262 0.8928
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.012 0.0052
Mycobacterium ulcerans hypothetical protein 0.0047 0.1268 0.1239
Schistosoma mansoni ran 0.0023 0.0499 0.0478
Echinococcus granulosus FTZ F1 alpha 0.001 0.012 0.0098
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0152 0.4538 0.4526
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0043
Schistosoma mansoni sodium/chloride dependent transporter 0.0036 0.0919 0.0899
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.054 0.0519
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0036 0.0919 0.0962
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.012 0.0098
Echinococcus multilocularis muscleblind protein 1 0.0152 0.4541 0.4529
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0752 0.082
Loa Loa (eye worm) hypothetical protein 0.0152 0.4541 0.4498
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0178 0.5362 0.6052
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0036 0.0919 0.0899
Echinococcus granulosus dna polymerase kappa 0.0178 0.5362 0.5352
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0036 0.0919 0.0899
Echinococcus granulosus muscleblind protein 0.0152 0.4541 0.4529
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0945 0.1993
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0093 0.2711 0.5716
Trichomonas vaginalis DNA polymerase eta, putative 0.0178 0.5362 0.6052
Schistosoma mansoni sodium-dependent amino acid transporter 0.0036 0.0919 0.0899
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.012 0.0043
Schistosoma mansoni cpg binding protein 0.0029 0.0708 0.0687
Echinococcus multilocularis cpg binding protein 0.0031 0.076 0.0739
Loa Loa (eye worm) hypothetical protein 0.0016 0.0307 0.0231
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.054 0.0509
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0961 0.0941
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.054 0.0509
Echinococcus multilocularis dna polymerase eta 0.023 0.699 0.6984
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0043
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.012 0.0098
Brugia malayi RNA, U transporter 1 0.0087 0.2514 0.2777
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0036 0.0919 0.0962
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0499 0.0484
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.012 0.0043
Trypanosoma brucei DNA polymerase kappa, putative 0.0178 0.5362 0.7604
Trypanosoma brucei DNA polymerase kappa, putative 0.0178 0.5362 0.7604
Brugia malayi polk-prov protein 0.0073 0.2091 0.2296
Mycobacterium ulcerans hypothetical protein 0.0024 0.054 0.04
Brugia malayi nuclear receptor NHR-88 0.001 0.012 0.0052
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.012 0.0098
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0047 0.1268 0.3045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.012 0.0043
Loa Loa (eye worm) hypothetical protein 0.0036 0.0919 0.0848
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0945 0.1105
Schistosoma mansoni glutaminase 0.029 0.8858 0.8855

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -3.48 % 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) = -2.43 % 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) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 1.4 % 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 % 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) = 13 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. 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) = 1.38 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -1 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 2 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 13 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 100 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.2 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.63202 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.
 
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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.