Detailed information for compound 456367

Basic information

Technical information
  • TDR Targets ID: 456367
  • Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-2-N-[ (2,4-difluorophenyl)methyl]-5-nitropyrimidine -2,4-diamine
  • MW: 406.43 | Formula: C19H24F2N6O2
  • H donors: 3 H acceptors: 4 LogP: 3.69 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCC1CCC(CC1)CNc1nc(ncc1[N+](=O)[O-])NCc1ccc(cc1F)F
  • InChi: 1S/C19H24F2N6O2/c20-15-6-5-14(16(21)7-15)10-24-19-25-11-17(27(28)29)18(26-19)23-9-13-3-1-12(8-22)2-4-13/h5-7,11-13H,1-4,8-10,22H2,(H2,23,24,25,26)
  • InChiKey: BTTRVTAXKXHUPL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(2,4-difluorophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine
  • N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(2,4-difluorophenyl)methyl]-5-nitropyrimidine-2,4-diamine
  • [4-(aminomethyl)cyclohexyl]methyl-[2-[(2,4-difluorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine
  • N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(2,4-difluorophenyl)methyl]-5-nitropyrimidine-2,4-diamine
  • N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(2,4-difluorophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein kinase C, theta Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Onchocerca volvulus Get druggable targets OG5_132502 All targets in OG5_132502
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
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
Trypanosoma brucei multidrug resistance protein E 0.0016 0.0032 0.002
Loa Loa (eye worm) multidrug resistance-associated protein 0.0012 0.0007 0.0065
Onchocerca volvulus 0.0167 0.1061 1
Entamoeba histolytica hypothetical protein, conserved 0.1476 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0053 0.0047
Schistosoma mansoni hypothetical protein 0.0037 0.0173 0.0173
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0182 0.1165 0.1165
Echinococcus granulosus peptidase Clp S14 family 0.0059 0.0329 0.0329
Schistosoma mansoni peptidase Clp (S14 family) 0.0091 0.0542 0.0542
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0042 0.021 0.0204
Loa Loa (eye worm) hypothetical protein 0.0167 0.1061 0.9234
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0013 0.0012 0.0012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0068 0.0594
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0039 0.049
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0289 0.2512
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0068 0.0068
Schistosoma mansoni serine/threonine protein kinase 0.0013 0.0012 0.0012
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0042 0.021 0.021
Schistosoma mansoni multidrug resistance protein 0.0016 0.0032 0.0032
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.0542 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0139 0.0872 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0053 0.0047
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0013 0.0012 0.0101
Echinococcus granulosus Protein kinase C brain isozyme 0.0022 0.0074 0.0074
Giardia lamblia ABC transporter, putative 0.0016 0.0032 0.0001
Schistosoma mansoni serine/threonine protein kinase 0.0013 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0167 0.1061 0.9234
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0059 0.0329 0.2616
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0068 0.0594
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0091 0.0542 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0053 0.0022
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0091 0.0542 0.5514
Echinococcus granulosus protein kinase c iota type 0.0022 0.0074 0.0074
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0053 0.0047
Loa Loa (eye worm) glutathione reductase 0.0055 0.0298 0.259
Trypanosoma cruzi multidrug resistance protein E, putative 0.0016 0.0032 0.0025
Schistosoma mansoni multidrug resistance protein 0.0016 0.0032 0.0032
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0053 0.0047
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0068 0.0855
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0053 0.0047
Entamoeba histolytica DNA repair and recombination protein, putative 0.1476 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0173 0.1507
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0068 0.0855
Entamoeba histolytica ATP-binding cassette protein, putative 0.0016 0.0032 0.002
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0042 0.021 0.3208
Schistosoma mansoni atypical protein kinase C 0.0022 0.0074 0.0074
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0053 0.0047
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.094 0.6339 0.6339
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0068 0.0855
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0068 0.0068
Giardia lamblia Multidrug resistance-associated protein 1 0.0016 0.0032 0.0001
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.1476 1 1
Plasmodium falciparum glutathione reductase 0.0055 0.0298 0.4999
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0298 0.0298
Brugia malayi glutathione reductase 0.0055 0.0298 0.373
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.1476 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0042 0.021 0.0199
Schistosoma mansoni ap endonuclease 0.0042 0.021 0.021
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0031 0.0137 0.1708
Schistosoma mansoni serine/threonine protein kinase 0.0013 0.0012 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0068 0.0855
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0068 0.0594
Trichomonas vaginalis AGC family protein kinase 0.0013 0.0012 0.0002
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.1476 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0139 0.0872 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0053 0.0042
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0594
Brugia malayi p70 ribosomal S6 kinase beta 0.0013 0.0012 0.0146
Schistosoma mansoni hypothetical protein 0.0017 0.0039 0.0039
Entamoeba histolytica ATP-binding cassette protein, putative 0.0016 0.0032 0.002
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0298 0.0291
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0091 0.0542 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.1476 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0139 0.0872 1
Echinococcus multilocularis geminin 0.0182 0.1165 0.1165
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0016 0.0032 0.0275
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0068 0.0068
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.021 0.0201
Loa Loa (eye worm) hypothetical protein 0.0016 0.0032 0.0275
Trichomonas vaginalis AGC family protein kinase 0.0013 0.0012 0.0002
Mycobacterium tuberculosis Probable dehydrogenase 0.0125 0.0777 0.8837
Trichomonas vaginalis AGC family protein kinase 0.0013 0.0012 0.0002
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0039 0.034
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0022 0.0074 0.0074
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0053 0.0042
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0068 0.0855
Loa Loa (eye worm) AGC/PKN protein kinase 0.0013 0.0012 0.0101
Schistosoma mansoni ap endonuclease 0.0042 0.021 0.021
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0068 0.0068
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0068 0.0068
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0053 0.0022
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0053 0.0047
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0022 0.0074 0.0643
Trichomonas vaginalis conserved hypothetical protein 0.1476 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0042 0.021 0.021
Brugia malayi protein kinase C II. 0.0022 0.0074 0.0926
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0031 0.0137 0.1708
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0068 0.0068
Brugia malayi Protein kinase domain containing protein 0.0013 0.0012 0.0146
Toxoplasma gondii hypothetical protein 0.0031 0.0137 0.2357
Trichomonas vaginalis AGC family protein kinase 0.0013 0.0012 0.0002
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0053 0.0022
Echinococcus multilocularis neuropeptide s receptor 0.0496 0.331 0.331
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0053 0.0022
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0031 0.0137 0.1708
Loa Loa (eye worm) hypothetical protein 0.018 0.1149 1
Toxoplasma gondii exonuclease III APE 0.0042 0.021 0.374
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0298 0.0298
Mycobacterium tuberculosis Probable oxidoreductase 0.0139 0.0872 1
Schistosoma mansoni serine/threonine kinase 0.0013 0.0012 0.0012
Echinococcus multilocularis serine:threonine protein kinase 38 0.0013 0.0012 0.0012
Schistosoma mansoni hypothetical protein 0.0182 0.1165 0.1165
Schistosoma mansoni multidrug resistance protein 0.0016 0.0032 0.0032
Brugia malayi nuclear hormone receptor 0.0021 0.0068 0.0855
Echinococcus multilocularis multidrug resistance associated protein 7 0.0016 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0594
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0053 0.0042
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0059 0.0329 0.3369
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0053 0.0022
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0016 0.0032 0.0025
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0016 0.0032 0.0377
Echinococcus multilocularis GPCR, family 2 0.0017 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0176 0.1123 0.9775
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0289 0.3618
Trichomonas vaginalis AGC family protein kinase 0.0013 0.0012 0.0002
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0053 0.0667
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0017 0.0039 0.0039
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0298 0.4999
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0039 0.0039
Schistosoma mansoni coup transcription factor 0.0021 0.0068 0.0068
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0125 0.0777 0.8705
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.034
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0068 0.0068
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0068 0.0855
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0053 0.0053
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0059 0.0329 0.3369
Echinococcus granulosus neuropeptide s receptor 0.0496 0.331 0.331
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0091 0.0542 0.0542
Echinococcus granulosus GPCR family 2 0.0017 0.0039 0.0039
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.1476 1 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0013 0.0012 0.0012
Echinococcus multilocularis multidrug resistance associated protein 1 0.0016 0.0032 0.0032
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.1476 1 1
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0298 0.259
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0068 0.0594
Trichomonas vaginalis AGC family protein kinase 0.0013 0.0012 0.0002
Treponema pallidum exodeoxyribonuclease (exoA) 0.0042 0.021 0.3208
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0125 0.0777 0.8837
Toxoplasma gondii thioredoxin reductase 0.0055 0.0298 0.539
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0068 0.0068
Brugia malayi ecdysteroid receptor 0.0021 0.0068 0.0855
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0013 0.0012 0.0012
Echinococcus granulosus geminin 0.0182 0.1165 0.1165
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0068 0.0855
Echinococcus multilocularis protein kinase c iota type 0.0022 0.0074 0.0074
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0013 0.0012 0.0101
Entamoeba histolytica ATP-binding cassette protein, putative 0.0016 0.0032 0.002
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0068 0.0068
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0039 0.0039
Loa Loa (eye worm) AGC/AKT protein kinase 0.0013 0.0012 0.0101
Schistosoma mansoni multidrug resistance protein 0.0016 0.0032 0.0032
Giardia lamblia Rrm3p helicase 0.1476 1 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0013 0.0012 0.0012
Echinococcus granulosus protein kinase C gamma type 0.0013 0.0012 0.0012
Echinococcus granulosus protein kinase c epsilon type 0.0022 0.0074 0.0074
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0068 0.0068
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0068 0.0594
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0594
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0068 0.0855
Echinococcus multilocularis multidrug resistance associated protein 4 0.0012 0.0007 0.0007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0068 0.0594
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0074 0.0074
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0289 0.3618
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0019 0.0236
Echinococcus multilocularis serine:threonine protein kinase N2 0.0013 0.0012 0.0012
Entamoeba histolytica multidrug resistance protein, putative 0.0016 0.0032 0.002
Brugia malayi MH2 domain containing protein 0.0128 0.0798 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0068 0.0068
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0013 0.0012 0.0101
Brugia malayi Protein kinase domain containing protein 0.0013 0.0012 0.0146
Loa Loa (eye worm) hypothetical protein 0.0053 0.0289 0.2512
Echinococcus granulosus multidrug resistance associated protein 4 0.0012 0.0007 0.0007
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.1476 1 1
Leishmania major trypanothione reductase 0.0055 0.0298 0.0267
Loa Loa (eye worm) hypothetical protein 0.0016 0.0032 0.0275
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0594
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0042 0.021 0.3208
Trichomonas vaginalis AGC family protein kinase 0.0013 0.0012 0.0002
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0091 0.0542 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0053 0.0053
Schistosoma mansoni hypothetical protein 0.0017 0.0039 0.0039
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0068 0.0068
Plasmodium falciparum thioredoxin reductase 0.0055 0.0298 0.4999
Schistosoma mansoni hypothetical protein 0.1476 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0068 0.0068
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.0542 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0039 0.0039
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0173 0.217
Giardia lamblia Multidrug resistance-associated protein 1 0.0016 0.0032 0.0001
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.1476 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0068 0.0068
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0068 0.0855
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0125 0.0777 0.8837
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0091 0.0542 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0039 0.0039
Brugia malayi Thioredoxin reductase 0.0055 0.0298 0.373
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0068 0.0068
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0042 0.021 0.1916
Trichomonas vaginalis AGC family protein kinase 0.0013 0.0012 0.0002
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0594
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0068 0.0855
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0053 0.0053
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0068 0.0068
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0068 0.0855
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0013 0.0012 0.0101
Trichomonas vaginalis AGC family protein kinase 0.0013 0.0012 0.0002
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0053 0.0047
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0053 0.0783
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0068 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0068 0.0855
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0016 0.0032 0.0025
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0125 0.0777 0.8837
Echinococcus granulosus multidrug resistance associated protein 1 0.0016 0.0032 0.0032
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0091 0.0542 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0016 0.0032 0.002
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.021 0.3208
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0074 0.0074
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0053 0.0047
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0042 0.021 0.0204
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0594
Brugia malayi Probable ClpP-like protease 0.0091 0.0542 0.6796
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0016 0.0032 0.002
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0091 0.0542 1
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0013 0.0012 0.0012
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.0798 0.6944
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0594
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.021 0.0201
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0068 0.0855
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0068 0.0068
Trichomonas vaginalis AGC family protein kinase 0.0013 0.0012 0.0002
Brugia malayi ABC transporter transmembrane region family protein 0.0016 0.0032 0.0397
Loa Loa (eye worm) hypothetical protein 0.0016 0.0031 0.0268
Brugia malayi exodeoxyribonuclease III family protein 0.0042 0.021 0.2633
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0016 0.0032 0.002
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0013 0.0012 0.0012
Echinococcus multilocularis serine:threonine protein kinase N2 0.0013 0.0012 0.0012
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0068 0.0068
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0053 0.0783
Echinococcus multilocularis serine threonine protein kinase 0.0013 0.0012 0.0012
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0042 0.021 0.018
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.021 0.3208
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0068 0.0068
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0042 0.021 0.0179
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0042 0.021 0.1828
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0068 0.0068
Trichomonas vaginalis AGC family protein kinase 0.0013 0.0012 0.0002
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.0542 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0091 0.0542 0.0542
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0013 0.0012 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0068 0.0855
Loa Loa (eye worm) AGC/NDR protein kinase 0.0013 0.0012 0.0101
Echinococcus granulosus neuropeptide receptor A26 0.0496 0.331 0.331
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.0798 0.6944
Echinococcus granulosus multidrug resistance associated protein 7 0.0016 0.0032 0.0032
Entamoeba histolytica hypothetical protein 0.0016 0.0032 0.002
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0039 0.049
Trypanosoma brucei p-glycoprotein 0.0016 0.0032 0.002
Plasmodium vivax glutathione reductase, putative 0.0055 0.0298 0.4999
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0125 0.0777 0.8837
Schistosoma mansoni serine/threonine protein kinase 0.0013 0.0012 0.0012
Brugia malayi nuclear receptor NHR-88 0.0021 0.0068 0.0855
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0068 0.0855
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0068 0.0594
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.0542 1
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0068 0.0068
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0053 0.0042
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0068 0.0594
Giardia lamblia MRP-like ABC transporter 0.0016 0.0032 0.0001
Schistosoma mansoni hypothetical protein 0.0017 0.0039 0.0039
Echinococcus multilocularis peptidase Clp (S14 family) 0.0059 0.0329 0.0329
Echinococcus multilocularis protein kinase c epsilon type 0.0022 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0091 0.0542 0.4719
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0053 0.0043
Echinococcus multilocularis neuropeptide receptor A26 0.0496 0.331 0.331
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0074 0.0074
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.0298 0.2985
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0068 0.0068
Brugia malayi Protein kinase domain containing protein 0.0013 0.0012 0.0146
Loa Loa (eye worm) hypothetical protein 0.0167 0.1061 0.9234
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0068 0.0068
Brugia malayi Hr1 repeat family protein 0.0013 0.0012 0.0146
Entamoeba histolytica ABC transporter, putative 0.0016 0.0032 0.002
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0068 0.0068
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0042 0.021 0.0199
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0068 0.0068
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0053 0.0043
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0068 0.0068
Trypanosoma brucei trypanothione reductase 0.0055 0.0298 0.0286
Mycobacterium tuberculosis Probable reductase 0.0125 0.0777 0.8837
Brugia malayi multidrug resistance related protein 1 0.0016 0.0032 0.0397
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0019 0.0236
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0068 0.0855
Echinococcus granulosus NDR protein kinase 0.0013 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0594
Brugia malayi steroid hormone receptor 0.0021 0.0068 0.0855

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.1 uM Inhibition of PKCtheta by FP assay ChEMBL. 17055721
IC50 (binding) = 0.1 uM Inhibition of PKCtheta by FP assay ChEMBL. 17055721

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.