Detailed information for compound 350904

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 477.443 | Formula: C22H25F6N3O2
  • H donors: 1 H acceptors: 3 LogP: 4.48 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCCCCOCc1cnc(n1c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)C(C)C
  • InChi: 1S/C22H25F6N3O2/c1-15(2)19-30-13-18(14-33-12-6-4-3-5-11-29)31(19)17-9-7-16(8-10-17)20(32,21(23,24)25)22(26,27)28/h7-10,13,15,32H,3-6,12,14H2,1-2H3
  • InChiKey: CQDZYTGGBOSBHU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens malonyl-CoA decarboxylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative Get druggable targets OG5_131397 All targets in OG5_131397
Trypanosoma brucei gambiense malonyl-CoA decarboxylase, mitochondrial precursor, putative Get druggable targets OG5_131397 All targets in OG5_131397
Brugia malayi putative malonyl-CoA decarboxylase Get druggable targets OG5_131397 All targets in OG5_131397
Leishmania braziliensis malonyl-coa decarboxylase-like protein Get druggable targets OG5_131397 All targets in OG5_131397
Leishmania mexicana malonyl-coa decarboxylase-like protein Get druggable targets OG5_131397 All targets in OG5_131397
Leishmania major malonyl-coa decarboxylase-like protein Get druggable targets OG5_131397 All targets in OG5_131397
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative Get druggable targets OG5_131397 All targets in OG5_131397
Leishmania infantum malonyl-coa decarboxylase-like protein Get druggable targets OG5_131397 All targets in OG5_131397
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131397 All targets in OG5_131397
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative Get druggable targets OG5_131397 All targets in OG5_131397
Trypanosoma congolense malonyl-CoA decarboxylase, mitochondrial precursor, putative Get druggable targets OG5_131397 All targets in OG5_131397
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase Get druggable targets OG5_131397 All targets in OG5_131397
Leishmania donovani malonyl-coa decarboxylase-like protein Get druggable targets OG5_131397 All targets in OG5_131397
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
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.017 0.0213
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0025 0.0234 0.0624
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0084 0.0048
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0024 0.02 0.2518
Schistosoma mansoni loxhd1 0.004 0.0536 0.0795
Treponema pallidum ATP-dependent RNA helicase 0.0024 0.02 0.5
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.0016 0.0036 0.0096
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0129 0.0414
Echinococcus multilocularis bloom syndrome protein 0.0048 0.0687 0.1036
Echinococcus granulosus importin subunit beta 1 0.003 0.0333 0.0473
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0024 0.02 0.6919
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0124 0.2244 0.5935
Schistosoma mansoni lipoxygenase 0.0113 0.2014 0.3148
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.0016 0.0036 0.0096
Echinococcus granulosus snurportin 1 0.0324 0.6319 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0053 0.0345
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0018 0.0084 0.0213
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0129 0.1418
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0076 0.1268 0.1236
Entamoeba histolytica hypothetical protein 0.0038 0.0486 1
Schistosoma mansoni hypothetical protein 0.0324 0.6319 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0024 0.02 0.0441
Trichomonas vaginalis DNA helicase recq1, putative 0.0048 0.0687 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.0273 0.0637
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0116 0.0127
Echinococcus granulosus lipoxygenase domain containing protein 0.004 0.0536 0.0795
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0018 0.0084 0.0213
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0113 0.2014 0.3148
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0124 0.2244 0.3514
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0084 0.0128
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0018 0.0084 0.0213
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0024 0.02 0.0261
Schistosoma mansoni hypothetical protein 0.0017 0.0053 0.0027
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0129 0.0342
Plasmodium falciparum eukaryotic initiation factor 4A 0.0024 0.02 0.3076
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.017 0.0134
Trypanosoma brucei short-chain dehydrogenase, putative 0.0016 0.0036 0.0096
Leishmania major cytochrome p450-like protein 0.0018 0.0084 0.0128
Echinococcus multilocularis 0.0018 0.0084 0.0076
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.0273 0.4744
Loa Loa (eye worm) hypothetical protein 0.0024 0.02 0.0165
Schistosoma mansoni flap endonuclease-1 0.0025 0.022 0.0292
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0053 0.0017
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0446 0.0411
Leishmania major cytochrome p450-like protein 0.0018 0.0084 0.0128
Schistosoma mansoni importin beta-1 0.003 0.0333 0.0473
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0032 0.0372 0.6728
Leishmania major importin beta-1 subunit, putative 0.0025 0.0216 0.0484
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.017 0.0605
Brugia malayi bHLH-PAS transcription factor 0.0037 0.0472 0.0437
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0198 0.3756 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0018 0.0084 0.0213
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0018 0.0084 0.0213
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0129 0.0248
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0018 0.0084 0.0128
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0129 0.1418
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0024 0.02 0.0261
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0018 0.0084 0.0213
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0129 0.2051
Brugia malayi Ets-domain containing protein 0.0076 0.1268 0.1236
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0129 0.0342
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0018 0.0084 0.0213
Loa Loa (eye worm) doublecortin family protein 0.004 0.0536 0.0501
Entamoeba histolytica recQ family helicase, putative 0.0025 0.0234 0.4398
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0053 0.0046
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0129 0.0248
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0018 0.0084 0.0223
Loa Loa (eye worm) hypothetical protein 0.0504 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0047 0.0675 0.1797
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0018 0.0084 0.0213
Schistosoma mansoni rab6-interacting 0.004 0.0536 0.0795
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0024 0.02 0.0261
Brugia malayi Cytochrome P450 family protein 0.0018 0.0084 0.0048
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0018 0.0084 0.0213
Toxoplasma gondii aldehyde dehydrogenase 0.0124 0.2244 1
Leishmania major cytochrome p450-like protein 0.0018 0.0084 0.0128
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0018 0.0084 0.0213
Schistosoma mansoni hypothetical protein 0.004 0.0536 0.0795
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0018 0.0084 0.0213
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0125 0.2265 0.3547
Trypanosoma brucei short-chain dehydrogenase, putative 0.0016 0.0036 0.0096
Trypanosoma cruzi DNA polymerase eta, putative 0.0033 0.039 0.095
Onchocerca volvulus 0.0159 0.2956 1
Echinococcus granulosus bloom syndrome protein 0.0048 0.0687 0.1036
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0333 0.0887
Schistosoma mansoni hypothetical protein 0.0017 0.0053 0.0027
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.017 0.2674
Echinococcus multilocularis transfer RNA-Lys 0.0037 0.0472 0.0693
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0784 0.0751
Schistosoma mansoni aryl hydrocarbon receptor 0.005 0.0737 0.1116
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0129 0.0342
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0216 0.2763
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0129 0.0342
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0116 0.337
Trypanosoma brucei short-chain dehydrogenase, putative 0.0016 0.0036 0.0096
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0024 0.02 0.2518
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0084 0.0128
Plasmodium vivax importin-beta 2, putative 0.003 0.0333 0.5944
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0216 0.0484
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0113 0.2014 0.3148
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0053 0.0017
Loa Loa (eye worm) hypothetical protein 0.003 0.0333 0.0298
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0018 0.0084 0.0213
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0024 0.02 0.0743
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0216 0.2763
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0018 0.0084 0.0213
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0116 0.0362
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0018 0.0084 0.0213
Entamoeba histolytica Ran family GTPase 0.0022 0.017 0.2967
Mycobacterium ulcerans aldehyde dehydrogenase 0.0124 0.2244 0.9905
Leishmania major DNA polymerase eta, putative 0.0047 0.0675 0.1718
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0024 0.02 0.2518
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0129 0.0342
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.017 0.5636
Entamoeba histolytica hypothetical protein 0.0038 0.0486 1
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0018 0.0084 0.0213
Echinococcus multilocularis importin subunit beta 1 0.003 0.0333 0.0473
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0018 0.0084 0.0213
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0018 0.0084 0.0213
Brugia malayi Flap endonuclease-1 0.0027 0.0273 0.0238
Brugia malayi Cytochrome P450 family protein 0.0018 0.0084 0.0048
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0018 0.0084 0.0213
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0116 0.0362
Echinococcus granulosus lipoxygenase domain containing protein 0.004 0.0536 0.0795
Loa Loa (eye worm) cytochrome P450 0.0018 0.0084 0.0048
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0129 0.0147
Schistosoma mansoni DNA helicase recq1 0.002 0.0116 0.0127
Trichomonas vaginalis flap endonuclease-1, putative 0.0027 0.0273 0.364
Entamoeba histolytica Flap nuclease, putative 0.0027 0.0273 0.5264
Echinococcus granulosus GPCR family 2 0.0017 0.0053 0.0027
Plasmodium vivax multidomain scavenger receptor, putative 0.004 0.0536 1
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.0234 0.3041
Mycobacterium ulcerans aldehyde dehydrogenase 0.0124 0.2244 0.9905
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0018 0.0084 0.0213
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0129 0.0248
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0784 0.0751
Brugia malayi Ets-domain containing protein 0.0076 0.1268 0.1236
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.017 0.0359
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.0273 0.0238
Schistosoma mansoni polycystin 1-related 0.004 0.0536 0.0795
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.017 0.0213
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0033 0.039 0.16
Mycobacterium ulcerans aldehyde dehydrogenase 0.0124 0.2244 0.9905
Echinococcus granulosus dna polymerase eta 0.0047 0.0675 0.1017
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0129 0.0093
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0129 0.0093
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0053 0.0017
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0018 0.0084 0.0213
Loa Loa (eye worm) hypothetical protein 0.0159 0.2956 0.2931
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0124 0.2244 0.3514
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0129 0.0147
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0018 0.0084 0.0213
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0018 0.0084 0.0213
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0018 0.0084 0.0213
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0333 0.0887
Loa Loa (eye worm) hypothetical protein 0.0065 0.1043 0.101
Echinococcus granulosus cytochrome P450 2K1 0.0018 0.0084 0.0076
Schistosoma mansoni gabp alpha 0.0076 0.1268 0.1961
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0053 0.0027
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0053 0.0027
Brugia malayi hypothetical protein 0.004 0.0536 0.0501
Plasmodium falciparum importin beta, putative 0.003 0.0333 0.5571
Giardia lamblia Flap structure-specific endonuclease 0.0027 0.0273 1
Schistosoma mansoni rab6-interacting 0.004 0.0536 0.0795
Echinococcus granulosus Polycystic kidney disease protein 0.004 0.0536 0.0795
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0053 0.0027
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0018 0.0084 0.0213
Echinococcus multilocularis RUN 0.004 0.0536 0.0795
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.017 0.2506
Leishmania major eukaryotic initiation factor 4a, putative 0.0024 0.02 0.0441
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0018 0.0084 0.0213
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.0084 0.0128
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0018 0.0084 0.0213
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.0273 0.0637
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0024 0.02 0.0261
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0486 0.0717
Brugia malayi hypothetical protein 0.004 0.0536 0.0501
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0053 0.0078
Brugia malayi Doublecortin family protein 0.004 0.0536 0.0501
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.0504 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0053 0.0027
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.0675 0.0641
Trypanosoma cruzi DNA polymerase eta, putative 0.0047 0.0675 0.1718
Brugia malayi Bloom's syndrome protein homolog 0.0048 0.0687 0.0653
Mycobacterium leprae Conserved hypothetical protein 0.0018 0.0084 1
Schistosoma mansoni ets-related 0.0231 0.4432 0.6996
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.0273 0.0727
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0018 0.0084 0.0213
Schistosoma mansoni hypothetical protein 0.0038 0.0486 0.0717
Echinococcus multilocularis GPCR, family 2 0.0017 0.0053 0.0027
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.017 0.0134
Brugia malayi hypothetical protein 0.0168 0.3146 0.3121
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0333 0.1345
Plasmodium falciparum LCCL domain-containing protein 0.004 0.0536 0.9373
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0018 0.0084 0.0213
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0486 0.0717
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0024 0.02 0.0736
Brugia malayi isocitrate dehydrogenase 0.0017 0.0053 0.0017
Brugia malayi Cytochrome P450 family protein 0.0018 0.0084 0.0048
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0124 0.2244 0.9905
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0053 0.0142
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0084 0.0048
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0129 0.0342
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0053 0.0027
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0053 0.0027
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0053 0.0027
Echinococcus multilocularis lipoxygenase domain containing protein 0.004 0.0536 0.0795
Brugia malayi eukaryotic initiation factor 4A 0.0024 0.02 0.0165
Leishmania major malonyl-coa decarboxylase-like protein 0.0198 0.3756 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0125 0.2265 1
Brugia malayi Cytochrome P450 family protein 0.0057 0.0886 0.0853
Trypanosoma brucei cytochrome P450, putative 0.0018 0.0084 0.0223
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0042 0.0569 1
Echinococcus granulosus dna polymerase kappa 0.002 0.0129 0.0147
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.2276 0.2248
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0129 0.0342
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0129 0.0147
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0018 0.0084 0.0213
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0125 0.2265 0.2237
Schistosoma mansoni hypothetical protein 0.0017 0.0053 0.0027
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0129 0.0342
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0216 0.2763
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0324 0.6319 0.6305
Echinococcus multilocularis Polycystic kidney disease protein 0.004 0.0536 0.0795
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0024 0.02 0.0533
Loa Loa (eye worm) hypothetical protein 0.002 0.0116 0.008
Brugia malayi cytochrome P450 0.0018 0.0084 0.0048
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0025 0.0234 0.0532
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0018 0.0084 0.0213
Echinococcus granulosus RUN 0.004 0.0536 0.0795
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0125 0.2265 0.5992
Echinococcus multilocularis GA binding protein alpha chain 0.0076 0.1268 0.1961
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0784 0.0751
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0053 0.0078
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.0016 0.0036 0.0096
Loa Loa (eye worm) hypothetical protein 0.0017 0.0053 0.0017
Brugia malayi hypoxia-induced factor 1 0.0155 0.288 0.2855
Leishmania major eukaryotic initiation factor 4a, putative 0.0024 0.02 0.0441
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0129 0.0342
Entamoeba histolytica hypothetical protein 0.0038 0.0486 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0125 0.2265 0.3547
Brugia malayi Fli-1 protein 0.0231 0.4432 0.4411
Schistosoma mansoni cytochrome P450 0.0018 0.0084 0.0076
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0129 0.0248
Loa Loa (eye worm) fli-1 protein 0.0231 0.4432 0.4411
Echinococcus granulosus flap endonuclease 1 0.0027 0.0273 0.0377
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.017 0.0359
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0018 0.0084 0.0213
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0129 0.0147
Schistosoma mansoni ran 0.0022 0.017 0.0213
Trypanosoma brucei oxidoreductase-like protein 0.0016 0.0036 0.0096
Loa Loa (eye worm) hypothetical protein 0.0047 0.0675 0.0641
Echinococcus granulosus single minded 2 0.0037 0.0472 0.0693
Echinococcus granulosus GA binding protein alpha chain 0.0076 0.1268 0.1961
Leishmania major GTP-binding protein, putative 0.0022 0.017 0.0359
Brugia malayi PAS domain containing protein 0.005 0.0737 0.0704
Entamoeba histolytica hypothetical protein 0.0025 0.0216 0.3997
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0053 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0129 0.0342
Brugia malayi RNA, U transporter 1 0.0086 0.1474 0.1443
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0125 0.2265 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0053 0.0077
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0018 0.0084 0.0213
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0018 0.0084 0.0213
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0053 0.0046
Onchocerca volvulus 0.0037 0.0472 0.1491
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.017 0.0452
Mycobacterium leprae putative cytochrome p450 0.0018 0.0084 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0109 0.1943 0.1914
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0125 0.2265 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0116 0.008
Echinococcus multilocularis lipoxygenase domain containing protein 0.004 0.0536 0.0795
Schistosoma mansoni ran 0.0022 0.017 0.0213
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0024 0.02 0.3642
Loa Loa (eye worm) hypothetical protein 0.0052 0.0784 0.0751
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0025 0.0234 0.0532
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0053 0.0027
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0116 0.0127
Schistosoma mansoni aldehyde dehydrogenase 0.0124 0.2244 0.3514
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0129 0.0342
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0024 0.02 0.0561
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0053 0.0027
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0129 0.0414
Loa Loa (eye worm) RecQ helicase 0.0048 0.0687 0.0653
Trypanosoma brucei short-chain dehydrogenase, putative 0.0016 0.0036 0.0096
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0018 0.0084 0.0213
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0024 0.02 0.0261
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.0016 0.0036 0.0096
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0116 0.0127
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0018 0.0084 0.0213
Brugia malayi MH2 domain containing protein 0.0126 0.2276 0.2248
Onchocerca volvulus 0.004 0.0536 0.1711
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0053 0.0017
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0116 0.008
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0129 0.0342
Leishmania major DNA polymerase kappa, putative 0.002 0.0129 0.0248
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0053 0.0323
Schistosoma mansoni hypothetical protein 0.0036 0.0446 0.0652
Leishmania major DNA polymerase eta, putative 0.0033 0.039 0.095
Schistosoma mansoni hypothetical protein 0.0017 0.0053 0.0027
Loa Loa (eye worm) hypothetical protein 0.0145 0.2672 0.2646
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0018 0.0084 0.0213
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0024 0.02 0.0441
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0032 0.0364 0.1487
Schistosoma mansoni aldehyde dehydrogenase 0.0124 0.2244 0.3514
Trichomonas vaginalis DNA helicase recq, putative 0.0048 0.0687 1
Echinococcus multilocularis dna polymerase eta 0.0047 0.0675 0.1017
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.0273 0.1074
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0018 0.0084 0.0213
Onchocerca volvulus 0.004 0.0536 0.1711
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0198 0.3756 1
Schistosoma mansoni DNA helicase recq5 0.002 0.0116 0.0127
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0018 0.0084 0.0213
Echinococcus multilocularis snurportin 1 0.0324 0.6319 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0129 0.0414
Loa Loa (eye worm) hypothetical protein 0.0168 0.3146 0.3121
Loa Loa (eye worm) cytochrome P450 family protein 0.0057 0.0886 0.0853
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0018 0.0084 0.0213
Entamoeba histolytica hypothetical protein 0.0038 0.0486 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0486 0.0717
Echinococcus multilocularis flap endonuclease 1 0.0027 0.0273 0.0377
Loa Loa (eye worm) hypothetical protein 0.0036 0.0446 0.0411
Loa Loa (eye worm) hypothetical protein 0.004 0.0536 0.0501
Mycobacterium ulcerans putative regulatory protein 0.0037 0.0472 0.1953
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0198 0.3756 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0116 0.0127
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.0016 0.0036 0.0096
Echinococcus granulosus eukaryotic initiation factor 4A 0.0024 0.02 0.0261
Trypanosoma brucei unspecified product 0.002 0.0129 0.0342
Trichomonas vaginalis ran, putative 0.0022 0.017 0.2051
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0053 0.0027
Trypanosoma brucei short-chain dehydrogenase, putative 0.0016 0.0036 0.0096
Loa Loa (eye worm) hypothetical protein 0.004 0.0536 0.0501
Schistosoma mansoni hypothetical protein 0.0018 0.0084 0.0076
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0116 0.008
Plasmodium vivax RNA helicase-1, putative 0.0024 0.02 0.3282
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0018 0.0084 0.0128
Schistosoma mansoni blooms syndrome DNA helicase 0.0038 0.0483 0.0711
Echinococcus multilocularis dna polymerase kappa 0.002 0.0129 0.0147
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0129 0.0342
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0053 0.0046
Schistosoma mansoni single-minded 0.005 0.0737 0.1116
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0053 0.0142
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0129 0.0414
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0129 0.0248
Plasmodium falciparum flap endonuclease 1 0.0027 0.0273 0.4446
Brugia malayi Importin beta-1 subunit 0.003 0.0333 0.0298
Loa Loa (eye worm) hypoxia-induced factor 1 0.0155 0.288 0.2855
Loa Loa (eye worm) CYP4Cod1 0.0018 0.0084 0.0048
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0018 0.0084 0.0213
Toxoplasma gondii cytochrome p450 superfamily protein 0.0018 0.0084 0.0215
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0053 0.0027
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0125 0.2265 0.3547
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0018 0.0084 0.0213
Schistosoma mansoni lipoxygenase 0.004 0.0536 0.0795
Schistosoma mansoni DNA polymerase eta 0.0047 0.0675 0.1017
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.2276 0.2248
Brugia malayi hypothetical protein 0.0038 0.0486 0.0452
Brugia malayi hypothetical protein 0.0159 0.2956 0.2931
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0116 0.1498
Giardia lamblia DINP protein human, muc B family 0.002 0.0129 0.3895
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.0084 0.0128

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.77 Inhibition of human recombinant MCD ChEMBL. 17482825
IC50 (binding) = 0.168 uM Inhibition of human recombinant MCD ChEMBL. 17482825
IC50 (binding) = 0.168 uM Inhibition of human recombinant MCD ChEMBL. 17482825
IC50 (binding) = 168 uM Inhibitory activity against recombinant human MCD MBP fusion protein ChEMBL. 16257202
IC50 (binding) = 168 uM Inhibitory activity against recombinant human MCD MBP fusion protein ChEMBL. 16257202
Log IC50 (binding) = 0.77 Inhibition of human recombinant MCD ChEMBL. 17482825

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

2 literature references were collected for this gene.

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