Detailed information for compound 1081460

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 463.272 | Formula: C21H17BrF2N2O3
  • H donors: 1 H acceptors: 2 LogP: 3.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)F)COc1cc(C)n(c(=O)c1Br)c1cc(ccc1C)C(=O)N
  • InChi: 1S/C21H17BrF2N2O3/c1-11-3-4-13(20(25)27)8-17(11)26-12(2)7-18(19(22)21(26)28)29-10-14-5-6-15(23)9-16(14)24/h3-9H,10H2,1-2H3,(H2,25,27)
  • InChiKey: LHJZWNSLAVIXQG-UHFFFAOYSA-N  

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 mitogen-activated protein kinase 14 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi P38 map kinase family protein 2 Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma congolense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Schistosoma japonicum ko:K04441 p38 MAP kinase, putative Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania mexicana mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania braziliensis mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania infantum mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei gambiense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania donovani mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 14 360 aa 336 aa 33.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Toxoplasma gondii LsmAD domain-containing protein 0.0058 0.1571 0.7439
Loa Loa (eye worm) fibroinase 0.002 0.0239 0.0378
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2072 1
Entamoeba histolytica cysteine protease, putative 0.002 0.0239 0.2197
Echinococcus multilocularis dna polymerase eta 0.0022 0.03 0.0475
Echinococcus granulosus lamin 0.0027 0.0485 0.0767
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.1505 0.1496
Leishmania major cathepsin L-like protease 0.002 0.0239 0.0279
Echinococcus granulosus cathepsin l1 0.002 0.0239 0.0378
Echinococcus multilocularis bloom syndrome protein 0.002 0.0254 0.0402
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0239 0.2197
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0485 0.0767
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0254 0.0943
Loa Loa (eye worm) hypothetical protein 0.002 0.0239 0.0378
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0043 0.1051 0.1662
Plasmodium vivax glutathione reductase, putative 0.0047 0.1191 0.7385
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0961 0.9141
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1137 0.1799
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0117 0.0021
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0485 0.0752
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0239 0.2197
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1137 0.1799
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0076 0.2182 0.445
Brugia malayi hypothetical protein 0.0038 0.0854 0.1337
Loa Loa (eye worm) hypothetical protein 0.0041 0.0961 0.1521
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.3714 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0043 0.1051 0.1662
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0239 0.0378
Brugia malayi PHD-finger family protein 0.003 0.0582 0.0905
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.03 0.2786
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0239 0.0378
Brugia malayi Thioredoxin reductase 0.0047 0.1191 0.1871
Plasmodium falciparum phd finger protein, putative 0.003 0.0582 0.3194
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.2934 0.464
Loa Loa (eye worm) hypothetical protein 0.005 0.1267 0.2005
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0239 0.2197
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0117 0.0106
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0254 0.0701
Onchocerca volvulus 0.002 0.0239 0.0393
Plasmodium falciparum thioredoxin reductase 0.0047 0.1191 0.7385
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.3714 0.4251
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0254 0.0386
Brugia malayi Cathepsin L-like precursor 0.002 0.0239 0.0362
Echinococcus granulosus peregrin 0.003 0.0582 0.092
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0117 0.1025
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 0.4819 0.7621
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0961 0.9141
Plasmodium falciparum cysteine proteinase falcipain 2b 0.002 0.0239 0.0838
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0239 0.2197
Echinococcus multilocularis lamin 0.0027 0.0485 0.0767
Schistosoma mansoni sex comb on midleg homolog 0.005 0.1267 0.1258
Echinococcus multilocularis cysteine protease 0.002 0.0239 0.0378
Leishmania major cathepsin L-like protease 0.002 0.0239 0.0279
Trichomonas vaginalis sucrase-isomaltase, putative 0.0043 0.1051 1
Leishmania major cathepsin L-like protease 0.0076 0.2182 0.4402
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0582 0.092
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0254 0.0395
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0026 0.0455 0.072
Treponema pallidum NADH oxidase 0.0016 0.0117 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0058 0.1571 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.03 0.0409
Echinococcus granulosus cathepsin l cysteine peptidase 0.002 0.0239 0.0378
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.03 0.0491
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.03 0.0491
Onchocerca volvulus 0.0041 0.0961 0.1634
Mycobacterium ulcerans hypothetical protein 0.0041 0.0961 0.4318
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0961 0.4318
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0254 0.0943
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 0.4819 0.7621
Leishmania major hypothetical protein, conserved 0.0041 0.0961 0.1812
Echinococcus multilocularis geminin 0.0173 0.5557 0.8789
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.3296 0.3757
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0961 0.0998
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1051 0.2002
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0195 0.6323 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0153 0.4851 0.7671
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0117 0.0107
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0582 0.092
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0239 0.2197
Brugia malayi Papain family cysteine protease containing protein 0.002 0.0239 0.0362
Onchocerca volvulus Cathepsin F homolog 0.002 0.0239 0.0393
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.03 0.0491
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0076 0.2182 0.445
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.1051 1
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.1191 0.7385
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.0017
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.3296 0.3757
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0016 0.0107 0.0933
Loa Loa (eye worm) hypothetical protein 0.0041 0.0961 0.1521
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.03 0.0937
Schistosoma mansoni alpha-glucosidase 0.0168 0.5377 0.5373
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.03 0.0475
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0254 0.0386
Leishmania major cathepsin L-like protease 0.0076 0.2182 0.4402
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0117 0.0021
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.1267 0.1258
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0076 0.2182 0.445
Schistosoma mansoni intermediate filament proteins 0.0027 0.0485 0.0475
Loa Loa (eye worm) cysteine protease 0.002 0.0239 0.0378
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.1051 1
Brugia malayi Cathepsin L-like precursor 0.002 0.0239 0.0362
Brugia malayi Cathepsin L-like precursor 0.002 0.0239 0.0362
Schistosoma mansoni hypothetical protein 0.003 0.0582 0.0572
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0076 0.2182 0.445
Mycobacterium tuberculosis Probable reductase 0.0108 0.3296 0.3757
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.2072 0.4169
Loa Loa (eye worm) hypothetical protein 0.0056 0.1505 0.2381
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0239 0.2197
Brugia malayi Bromodomain containing protein 0.003 0.0582 0.0905
Echinococcus granulosus intermediate filament protein 0.0027 0.0485 0.0767
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.03 0.2786
Echinococcus multilocularis dna polymerase kappa 0.0022 0.03 0.0475
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0117 0.0021
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.3296 0.3757
Brugia malayi hypothetical protein 0.0181 0.5829 0.9222
Plasmodium vivax vivapain-2 0.002 0.0239 0.0838
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.1051 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1051 0.2002
Plasmodium vivax vivapain-2 0.002 0.0239 0.0838
Echinococcus multilocularis lysosomal alpha glucosidase 0.0195 0.6321 0.9996
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.1505 0.2369
Onchocerca volvulus 0.002 0.0239 0.0393
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0961 0.9141
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.03 0.0409
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0117 0.0021
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0117 0.0021
Brugia malayi beta-lactamase 0.0041 0.0961 0.1507
Loa Loa (eye worm) RecQ helicase 0.002 0.0254 0.0402
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.03 0.0459
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0961 0.0998
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0043 0.1051 1
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.1267 0.2004
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0239 0.2197
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0799 0.079
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.1191 0.1269
Loa Loa (eye worm) hypothetical protein 0.0051 0.132 0.2089
Echinococcus multilocularis peregrin 0.003 0.0582 0.092
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0239 0.0378
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1137 0.1128
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0107 0.0933
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0026 0.0455 0.072
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.1267 0.2004
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0254 0.0311
Loa Loa (eye worm) hypothetical protein 0.0058 0.1571 0.2486
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0107 0.0933
Echinococcus granulosus dna polymerase kappa 0.0022 0.03 0.0475
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0117 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2072 0.2064
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.03 0.2786
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.1191 0.1884
Loa Loa (eye worm) hypothetical protein 0.0016 0.0107 0.017
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0107 0.0933
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0961 0.0998
Leishmania major cathepsin L-like protease 0.0076 0.2182 0.4402
Trypanosoma cruzi cysteine peptidase, putative 0.0076 0.2182 0.4402
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0239 0.2197
Plasmodium falciparum cysteine proteinase falcipain 3 0.002 0.0239 0.0838
Brugia malayi Cathepsin L-like precursor 0.002 0.0239 0.0362
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0107 0.0933
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0107 0.0933
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0195 0.6321 1
Plasmodium vivax hypothetical protein, conserved 0.003 0.0582 0.3194
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0076 0.2182 0.445
Plasmodium falciparum ataxin-2 like protein, putative 0.0058 0.1571 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0961 0.1521
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0961 0.5805
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0043 0.1051 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0961 0.1812
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0239 0.2197
Trypanosoma cruzi cysteine peptidase, putative 0.0076 0.2182 0.4402
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.3296 0.3757
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0117 0.0021
Schistosoma mansoni alpha-glucosidase 0.0168 0.5377 0.5373
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0254 0.0311
Onchocerca volvulus 0.0027 0.0485 0.0815
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2072 1
Leishmania major cathepsin L-like protease 0.002 0.0239 0.0279
Onchocerca volvulus 0.002 0.0239 0.0393
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0239 0.2197
Entamoeba histolytica recQ family helicase, putative 0.002 0.0254 0.2343
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 0.4819 1
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0254 0.2343
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0485 0.0767
Leishmania major cysteine peptidase A (CPA) 0.002 0.0239 0.0279
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0117 0.0185
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0254 0.0701
Onchocerca volvulus Alhambra homolog 0.003 0.0582 0.0982
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0117 0.0185
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.03 0.0216
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.1051 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.03 0.0491
Onchocerca volvulus Cathepsin L homolog 0.002 0.0239 0.0393
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0799 0.1264
Echinococcus granulosus polycomb protein SCMH1 0.005 0.1267 0.2004
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.03 0.0409
Toxoplasma gondii thioredoxin reductase 0.0047 0.1191 0.5493
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0152 0.4819 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1137 0.1799
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0107 0.0933
Loa Loa (eye worm) hypothetical protein 0.0041 0.0961 0.1521
Schistosoma mansoni hypothetical protein 0.0173 0.5557 0.5553
Onchocerca volvulus 0.002 0.0239 0.0393
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.2072 0.3277
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.3714 0.4251
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0254 0.0402
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0016 0.0107 0.0167
Onchocerca volvulus 0.002 0.0239 0.0393
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.03 0.0491
Loa Loa (eye worm) hypothetical protein 0.003 0.0582 0.092
Onchocerca volvulus 0.002 0.0239 0.0393
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.03 0.0491
Mycobacterium tuberculosis Conserved protein 0.0041 0.0961 0.0998
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 0.4819 0.7621
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0239 0.2197
Onchocerca volvulus 0.0041 0.0961 0.1634
Brugia malayi mbt repeat family protein 0.005 0.1267 0.1991
Loa Loa (eye worm) beta-lactamase 0.0041 0.0961 0.1521
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0142 0.4457 0.7048
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.03 0.0491
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.0017
Loa Loa (eye worm) mbt repeat family protein 0.005 0.1267 0.2005
Onchocerca volvulus 0.002 0.0239 0.0393
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0961 0.0998
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.0017
Echinococcus granulosus cathepsin l1 0.0013 0.001 0.0017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1137 0.1128
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.2072 0.231
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0239 0.2197
Plasmodium falciparum cysteine proteinase falcipain 2a 0.002 0.0239 0.0838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0076 0.2182 0.445
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.03 0.0409
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0117 0.0021
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1137 0.1786
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 0.4819 1
Schistosoma mansoni sex comb on midleg homolog 0.005 0.1267 0.1258
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.1191 0.1883
Mycobacterium ulcerans beta-lactamase 0.0041 0.0961 0.4318
Schistosoma mansoni thyroid hormone receptor 0.0153 0.4851 0.4845
Loa Loa (eye worm) hypothetical protein 0.0022 0.03 0.0475
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0239 0.2197
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0117 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0799 0.079
Echinococcus multilocularis musashi 0.0027 0.0485 0.0767
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0239 0.2197
Giardia lamblia DINP protein human, muc B family 0.0022 0.03 0.3941
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1137 0.1799
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.03 0.0459
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0961 0.1507
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.1267 0.2004
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0254 0.0402
Echinococcus granulosus lamin dm0 0.0027 0.0485 0.0767
Leishmania major DNA polymerase eta, putative 0.0022 0.03 0.0409
Leishmania major alpha glucosidase II subunit, putative 0.0043 0.1051 0.2002
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0117 0.0021
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0254 0.2343
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.1191 0.1883
Schistosoma mansoni hypothetical protein 0.0026 0.0455 0.0445
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0961 0.0998
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0261 0.8579 1
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0239 0.0229
Brugia malayi intermediate filament protein 0.0027 0.0485 0.0752
Echinococcus multilocularis cysteine protease 0.002 0.0239 0.0378
Loa Loa (eye worm) hypothetical protein 0.0027 0.0468 0.074
Schistosoma mansoni thyroid hormone receptor 0.0153 0.4851 0.4845
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0239 0.2197
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0107 0.0154
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0582 0.2376
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 0.4819 0.7621
Brugia malayi Glycosyl hydrolases family 31 protein 0.0043 0.1051 0.1648
Loa Loa (eye worm) hypothetical protein 0.0181 0.5829 0.9223
Echinococcus granulosus mitogen activated protein kinase 14 0.0152 0.4819 0.7621
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0961 0.4318
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2072 0.2064
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0987 0.156
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0239 0.2197
Loa Loa (eye worm) ctsf protein 0.002 0.0239 0.0378
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0961 0.9141
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0254 0.0402
Schistosoma mansoni hypothetical protein 0.0173 0.5557 0.5553
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0961 0.9141
Schistosoma mansoni jumonji domain containing protein 0.0078 0.2238 0.223
Mycobacterium ulcerans lipase LipD 0.0041 0.0961 0.4318
Schistosoma mansoni alpha glucosidase 0.0043 0.1051 0.1041
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0582 0.2376
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2072 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0195 0.6321 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0254 0.0402
Trypanosoma cruzi PAB1-binding protein , putative 0.0058 0.1571 0.3107
Onchocerca volvulus 0.005 0.1267 0.216
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.1505 0.238
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0107 0.0933
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.03 0.029
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0117 0.0169
Trypanosoma brucei unspecified product 0.0022 0.03 0.0491
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0987 0.156
Trichomonas vaginalis maltase-glucoamylase, putative 0.0043 0.1051 1
Echinococcus multilocularis lamin dm0 0.0027 0.0485 0.0767
Trypanosoma brucei glycosyl hydrolase-like protein 0.0016 0.0107 0.0086
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.1267 0.216
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0582 0.092
Trypanosoma brucei trypanothione reductase 0.0047 0.1191 0.2366
Schistosoma mansoni hypothetical protein 0.0142 0.4457 0.4451
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.3714 0.4251
Echinococcus granulosus bloom syndrome protein 0.002 0.0254 0.0402
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.03 0.0409
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0254 0.0386
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0069 0.1953 0.3917
Trypanosoma cruzi major cysteine proteinase, putative 0.006 0.1618 0.3206
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0076 0.2182 0.445
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.1683 0.2662
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.03 0.0491
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.03 0.0409
Loa Loa (eye worm) glutathione reductase 0.0047 0.1191 0.1884
Plasmodium falciparum glutathione reductase 0.0047 0.1191 0.7385
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.1191 0.23
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0239 0.0378
Brugia malayi P38 map kinase family protein 2 0.0152 0.4819 0.7621
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0254 0.0402
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0961 0.1812
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0961 0.152
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0239 0.2197
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0961 0.0998
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0961 0.0952
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.03 0.029
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.005 0.0079
Loa Loa (eye worm) MBCTL1 0.0056 0.1505 0.2381
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0239 0.2197
Echinococcus multilocularis lysosomal alpha glucosidase 0.0195 0.6321 0.9996
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0961 0.0998
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1137 0.1128
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0239 0.0229
Mycobacterium tuberculosis Conserved protein 0.0041 0.0961 0.0998
Trypanosoma cruzi cysteine peptidase, putative 0.002 0.0239 0.0279
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0076 0.2182 0.445
Brugia malayi beta-lactamase family protein 0.0041 0.0961 0.1507
Brugia malayi hypothetical protein 0.0058 0.1571 0.2473
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.03 0.0216
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0076 0.2182 0.445
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.0239 0.2197
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.3296 0.3757
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.03 0.0491
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.1505 0.238
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0117 0.0106
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0117 0.0021
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0239 0.2197
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.0239 0.0378
Trypanosoma brucei PAB1-binding protein , putative 0.0058 0.1571 0.3166
Loa Loa (eye worm) hypothetical protein 0.0027 0.0485 0.0767
Echinococcus granulosus lysosomal alpha glucosidase 0.0195 0.6321 0.9996
Brugia malayi jmjC domain containing protein 0.0036 0.0799 0.125
Echinococcus granulosus mitogen activated protein kinase 11 0.0152 0.4819 0.7621
Leishmania major trypanothione reductase 0.0047 0.1191 0.23
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0239 0.2197
Schistosoma mansoni DNA helicase recq1 0.002 0.0254 0.0244
Brugia malayi Cathepsin L-like precursor 0.002 0.0239 0.0362
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.002 0.0239 0.0378
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.2934 0.464
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.03 0.0475
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0117 0.0021
Leishmania major DNA polymerase kappa, putative 0.0022 0.03 0.0409
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0117 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0961 0.1882
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.2072 0.3277
Echinococcus multilocularis neutral alpha glucosidase AB 0.0043 0.1051 0.1662
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.0239 0.2197
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.03 0.0491
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.03 0.0937
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0239 0.2197
Trichomonas vaginalis esterase, putative 0.0041 0.0961 0.9141
Mycobacterium tuberculosis Conserved protein 0.0041 0.0961 0.0998
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0076 0.2182 0.445
Onchocerca volvulus Cathepsin L homolog 0.002 0.0239 0.0393
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0254 0.2951
Onchocerca volvulus 0.0113 0.3465 0.5937
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0043 0.1051 1
Schistosoma mansoni lamin 0.0027 0.0485 0.0475
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0117 0.0106
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0582 0.0572
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0142 0.4457 0.7048
Echinococcus granulosus dna polymerase eta 0.0022 0.03 0.0475
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.1505 0.238
Brugia malayi mbt repeat family protein 0.005 0.1267 0.1991
Plasmodium falciparum ataxin-2 like protein, putative 0.0058 0.1571 1
Toxoplasma gondii cathepsin CPL 0.002 0.0239 0.0623
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0043 0.1051 0.4775
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0117 0.0106
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.03 0.0491
Toxoplasma gondii ABC1 family protein 0.0041 0.0961 0.4318
Trichomonas vaginalis maltase-glucoamylase, putative 0.0016 0.0107 0.0933
Trypanosoma cruzi cruzipain precursor, putative 0.0076 0.2182 0.4402
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.03 0.0491
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0254 0.2343
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0117 0.0021
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0195 0.6323 1
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0152 0.4819 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0961 0.1521
Brugia malayi Cathepsin L-like precursor 0.002 0.0239 0.0362
Schistosoma mansoni DNA polymerase eta 0.0022 0.03 0.029
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0961 0.152
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.1051 1
Brugia malayi jmjC domain containing protein 0.0098 0.2934 0.4633
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0239 0.2197
Onchocerca volvulus 0.0027 0.0485 0.0815
Trypanosoma brucei glucosidase, putative 0.0043 0.1051 0.207
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0239 0.2197
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1137 0.1799
Echinococcus granulosus geminin 0.0173 0.5557 0.8789
Loa Loa (eye worm) hypothetical protein 0.0041 0.0961 0.1521
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.1505 0.238
Loa Loa (eye worm) hypothetical protein 0.0041 0.0961 0.1521
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0799 0.1264
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0239 0.2197
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.03 0.0475
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.005 0.0062
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0117 0.0021
Trypanosoma cruzi PAB1-binding protein , putative 0.0058 0.1571 0.3107
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0961 0.0952
Echinococcus granulosus cathepsin L cysteine proteinase 0.002 0.0239 0.0378
Leishmania major cathepsin L-like protease 0.002 0.0239 0.0279
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.03 0.0491
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0152 0.4819 0.7624
Leishmania major cathepsin L-like protease 0.002 0.0239 0.0279
Trypanosoma cruzi cysteine peptidase, putative 0.0076 0.2182 0.4402
Giardia lamblia PHD finger protein 15 0.003 0.0582 1
Onchocerca volvulus 0.0041 0.0961 0.1634
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.3296 0.8481
Brugia malayi glutathione reductase 0.0047 0.1191 0.1871
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.03 0.0491
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0254 0.0402
Schistosoma mansoni lamin 0.0027 0.0485 0.0475
Schistosoma mansoni DNA helicase recq5 0.002 0.0254 0.0244
Leishmania major hypothetical protein, conserved 0.0058 0.1571 0.3107
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0043 0.1051 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0117 0.0021
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0117 0.1025
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0799 0.1264
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0239 0.2197
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0076 0.2182 0.445
Onchocerca volvulus 0.0181 0.5829 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.2072 1
Brugia malayi beta-lactamase family protein 0.0041 0.0961 0.1507

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2 nM Inhibition of p38alpha assessed as phosphorylation FITC-labeled Hsp27 after 60 mins by fluorescence based cascade assay ChEMBL. 21641211
IC50 (functional) = 2.5 nM Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TNFalpha release pretreated for 1 hr before LPS treatment measured after 18 hrs ChEMBL. 21641211

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21641211

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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