Detailed information for compound 1187591

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 265.206 | Formula: C14H7F4N
  • H donors: 0 H acceptors: 1 LogP: 4.25 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)c1ccc(c(c1)F)C(F)(F)F
  • InChi: 1S/C14H7F4N/c15-13-7-11(5-6-12(13)14(16,17)18)10-3-1-9(8-19)2-4-10/h1-7H
  • InChiKey: GGTNFQNNBXFPBX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinesin family member 11 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis kinesin-like boursin Get druggable targets OG5_128460 All targets in OG5_128460
Echinococcus granulosus kinesin family 1 Get druggable targets OG5_128460 All targets in OG5_128460
Loa Loa (eye worm) kinesin-like protein KLP2 Get druggable targets OG5_128460 All targets in OG5_128460
Candida albicans kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium knowlesi kinesin-5, putative Get druggable targets OG5_128460 All targets in OG5_128460
Neospora caninum hypothetical protein Get druggable targets OG5_128460 All targets in OG5_128460
Echinococcus multilocularis kinesin family 1 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium berghei kinesin-5, putative Get druggable targets OG5_128460 All targets in OG5_128460
Cryptosporidium parvum kinesin-like boursin, putative Get druggable targets OG5_128460 All targets in OG5_128460
Schistosoma mansoni kinesin eg-5 Get druggable targets OG5_128460 All targets in OG5_128460
Giardia lamblia Kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Candida albicans kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein Get druggable targets OG5_128460 All targets in OG5_128460
Toxoplasma gondii kinesin motor domain-containing protein Get druggable targets OG5_128460 All targets in OG5_128460
Schistosoma japonicum ko:K10398 kinesin family member 11, putative Get druggable targets OG5_128460 All targets in OG5_128460
Brugia malayi Kinesin motor domain containing protein Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium yoelii Kinesin motor domain, putative Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium falciparum kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium vivax kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Entamoeba histolytica kinesin, putative Get druggable targets OG5_128460 All targets in OG5_128460
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis set domain proteins, putative 0.0963 0.6887 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0183 0.0254
Brugia malayi F/Y-rich N-terminus family protein 0.0016 0.0005 0.0008
Trichomonas vaginalis esterase, putative 0.011 0.0688 0.0999
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0022 0.0046 0.0227
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0155 0.0225
Brugia malayi mothers against decapentaplegic homolog 3 0.0031 0.011 0.0153
Brugia malayi beta-lactamase 0.011 0.0688 0.0953
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0121 0.0769 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0011 0.0011
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0221 0.1495 0.1495
Plasmodium vivax hypothetical protein, conserved 0.011 0.0688 0.8812
Schistosoma mansoni Smad4 0.0031 0.011 0.0221
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0031 0.011 0.0098
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0108 0.0108
Brugia malayi Calcitonin receptor-like protein seb-1 0.0157 0.1027 0.1423
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0037 0.0183
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0037 0.0183
Loa Loa (eye worm) hypothetical protein 0.0021 0.0037 0.0052
Leishmania major mitochondrial DNA polymerase beta 0.0296 0.2039 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.061 0.061
Onchocerca volvulus 0.0121 0.0769 0.1061
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0037 0.0183
Loa Loa (eye worm) hypothetical protein 0.005 0.0248 0.0343
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0324 0.0324
Plasmodium falciparum phd finger protein, putative 0.003 0.0108 0.651
Schistosoma mansoni kinesin eg-5 0.0032 0.0121 0.0242
Brugia malayi MH2 domain containing protein 0.0069 0.0386 0.0535
Mycobacterium leprae Probable lipase LipE 0.011 0.0688 0.5
Echinococcus granulosus GPCR family 2 0.005 0.0248 0.0248
Loa Loa (eye worm) kinesin-like protein KLP2 0.0032 0.0121 0.0167
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0046 0.0224 0.1098
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0343 0.0475
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.011 0.0688 0.138
Onchocerca volvulus 0.011 0.0688 0.0942
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0037 0.0183
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0083 0.0409
Mycobacterium tuberculosis Conserved protein 0.011 0.0688 0.131
Brugia malayi MH1 domain containing protein 0.0038 0.0163 0.0226
Echinococcus granulosus kinesin family 1 0.0247 0.1685 0.1685
Entamoeba histolytica hypothetical protein 0.0221 0.1495 1
Echinococcus granulosus Smad4 0.0069 0.0386 0.0386
Brugia malayi Bromodomain containing protein 0.0033 0.0125 0.0173
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0015 0.0021
Echinococcus granulosus mothers against decapentaplegic 5 0.0069 0.0386 0.0386
Loa Loa (eye worm) hypothetical protein 0.0157 0.1027 0.1423
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0108 0.0108
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0324 0.291
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0037 0.0183
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0046 0.0224 0.0224
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0846 0.6038 0.837
Schistosoma mansoni tar DNA-binding protein 0.0332 0.2299 0.4613
Echinococcus granulosus mothers against decapentaplegic 2 0.0031 0.011 0.011
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0906 0.4441
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0108 0.0353
Loa Loa (eye worm) hypothetical protein 0.011 0.0688 0.0953
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0248 0.0248
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.019 0.093
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.0688 0.3373
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0243 0.0338
Schistosoma mansoni tar DNA-binding protein 0.0332 0.2299 0.4613
Schistosoma mansoni smad 0.0069 0.0386 0.0775
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0011 0.0022
Schistosoma mansoni smad1 5 8 and 0.0069 0.0386 0.0775
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0138 0.02
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0011 0.0011
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.011 0.0688 0.6614
Loa Loa (eye worm) hypothetical protein 0.0204 0.1367 0.1895
Brugia malayi MH2 domain containing protein 0.0031 0.011 0.0153
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0037 0.0183
Loa Loa (eye worm) hypothetical protein 0.0043 0.0197 0.0273
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0157 0.1027 0.1423
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0168 0.0168
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0037 0.0037
Schistosoma mansoni lamin 0.0021 0.0043 0.0086
Schistosoma mansoni hypothetical protein 0.003 0.0108 0.0216
Echinococcus granulosus tar DNA binding protein 0.0332 0.2299 0.2299
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0037 0.0183
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0256 0.1255
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0243 0.0243
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0704 0.5003 1
Brugia malayi beta-lactamase family protein 0.011 0.0688 0.0953
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0138 0.0893 0.1792
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.019 0.093
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0321 0.0321
Loa Loa (eye worm) hypothetical protein 0.011 0.0688 0.0953
Echinococcus multilocularis peregrin 0.0033 0.0125 0.0125
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0037 0.0183
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0248 0.0343
Echinococcus multilocularis kinesin family 1 0.0247 0.1685 0.1685
Leishmania major hypothetical protein, conserved 0.011 0.0688 0.3373
Echinococcus multilocularis GPCR, family 2 0.005 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.0318 0.2198 0.3047
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0243 0.0243
Giardia lamblia Kinesin-5 0.0032 0.0121 0.4461
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0037 0.0183
Loa Loa (eye worm) MH1 domain-containing protein 0.0031 0.011 0.0153
Loa Loa (eye worm) hypothetical protein 0.0038 0.0163 0.0226
Plasmodium vivax SET domain protein, putative 0.0121 0.0769 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0027 0.0132
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0083 0.0409
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.011 0.0688 0.138
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0069 0.0386 0.0775
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0069 0.01
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0248 0.0343
Mycobacterium ulcerans beta-lactamase 0.011 0.0688 0.6614
Entamoeba histolytica kinesin, putative 0.0032 0.0121 0.0571
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0037 0.0054
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0108 0.0149
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.019 0.093
Toxoplasma gondii target of rapamycin (TOR), putative 0.0034 0.0138 0.079
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0083 0.0409
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0046 0.0224 0.1098
Echinococcus multilocularis tar DNA binding protein 0.0332 0.2299 0.2299
Mycobacterium tuberculosis Probable lipase LipD 0.011 0.0688 0.131
Loa Loa (eye worm) hypothetical protein 0.0107 0.0666 0.0923
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.2039 1
Echinococcus multilocularis smad 0.0069 0.0386 0.0386
Loa Loa (eye worm) TAR-binding protein 0.0332 0.2299 0.3187
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0037 0.0183
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0138 0.02
Mycobacterium ulcerans lipase LipD 0.011 0.0688 0.6614
Brugia malayi Kinesin motor domain containing protein 0.0032 0.0121 0.0167
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0224 0.0325
Brugia malayi MH2 domain containing protein 0.1008 0.7213 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0138 0.02
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0037 0.0037
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0011 0.0022
Echinococcus granulosus TGF beta signal transducer SmadC 0.0069 0.0386 0.0386
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0138 0.02
Leishmania major hypothetical protein, conserved 0.0027 0.0083 0.0409
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0243 0.0489
Echinococcus multilocularis lamin dm0 0.0021 0.0043 0.0043
Mycobacterium tuberculosis Probable hydrolase 0.011 0.0688 0.131
Loa Loa (eye worm) MH1 domain-containing protein 0.0069 0.0386 0.0535
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0088 0.0128
Echinococcus granulosus smad 0.0069 0.0386 0.0386
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0046 0.0224 0.1279
Brugia malayi Bromodomain containing protein 0.0038 0.0165 0.0229
Trichomonas vaginalis D-aminoacylase, putative 0.011 0.0688 0.0999
Brugia malayi Pre-SET motif family protein 0.0846 0.6038 0.837
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0046 0.0224 0.1098
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0157 0.1027 0.1423
Loa Loa (eye worm) RNA binding protein 0.0332 0.2299 0.3187
Echinococcus granulosus lamin 0.0021 0.0043 0.0043
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0037 0.0183
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0243 0.0489
Trichomonas vaginalis penicillin-binding protein, putative 0.011 0.0688 0.0999
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0046 0.0224 0.1098
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0324 0.0324
Echinococcus multilocularis geminin 0.0701 0.4984 0.4984
Onchocerca volvulus 0.0318 0.2198 0.3148
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0324 0.291
Brugia malayi RNA binding protein 0.0332 0.2299 0.3187
Loa Loa (eye worm) nuclear factor I 0.0038 0.0163 0.0226
Loa Loa (eye worm) MH2 domain-containing protein 0.0031 0.011 0.0153
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0324 0.0649
Brugia malayi MH1 domain containing protein 0.0069 0.0386 0.0535
Onchocerca volvulus Alhambra homolog 0.003 0.0108 0.0095
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.011 0.0688 0.131
Mycobacterium leprae conserved hypothetical protein 0.011 0.0688 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein 0.011 0.0688 0.131
Echinococcus granulosus lamin dm0 0.0021 0.0043 0.0043
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0069 0.01
Brugia malayi hypothetical protein 0.0318 0.2198 0.3047
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0037 0.0075
Brugia malayi latrophilin 2 splice variant baaae 0.0107 0.0666 0.0923
Brugia malayi MH2 domain containing protein 0.0069 0.0386 0.0535
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0108 0.0216
Loa Loa (eye worm) hypothetical protein 0.0071 0.0401 0.0556
Trichomonas vaginalis D-aminoacylase, putative 0.011 0.0688 0.0999
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0138 0.0893 0.1792
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0113 0.0164
Loa Loa (eye worm) hypothetical protein 0.011 0.0688 0.0953
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0037 0.0183
Loa Loa (eye worm) hypothetical protein 0.011 0.0688 0.0953
Schistosoma mansoni lamin 0.0021 0.0043 0.0086
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0108 0.0353
Schistosoma mansoni jumonji domain containing protein 0.0079 0.0461 0.0925
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.2039 1
Schistosoma mansoni hypothetical protein 0.0221 0.1495 0.3001
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0148 0.0148
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0168 0.0337
Brugia malayi beta-lactamase family protein 0.011 0.0688 0.0953
Schistosoma mansoni zinc finger protein 0.002 0.0029 0.0059
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0248 0.0248
Brugia malayi Pre-SET motif family protein 0.0121 0.0769 0.1066
Schistosoma mansoni hypothetical protein 0.005 0.0248 0.0497
Brugia malayi Latrophilin receptor protein 2 0.005 0.0248 0.0343
Loa Loa (eye worm) transcription factor SMAD2 0.1008 0.7213 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0069 0.0386 0.0386
Leishmania major DNA polymerase kappa, putative 0.0021 0.0037 0.0183
Mycobacterium ulcerans hypothetical protein 0.011 0.0688 0.6614
Loa Loa (eye worm) hypothetical protein 0.0052 0.0265 0.0368
Schistosoma mansoni hypothetical protein 0.005 0.0248 0.0497
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0088 0.0128
Schistosoma mansoni hypothetical protein 0.005 0.0248 0.0497
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0243 0.0243
Schistosoma mansoni hypothetical protein 0.0215 0.1452 0.2913
Echinococcus granulosus geminin 0.0701 0.4984 0.4984
Echinococcus granulosus mothers against decapentaplegic 6 0.0031 0.011 0.011
Giardia lamblia PHD finger protein 15 0.003 0.0108 0.3766
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0138 0.02
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0155 0.0225
Loa Loa (eye worm) beta-lactamase 0.011 0.0688 0.0953
Mycobacterium tuberculosis Conserved protein 0.011 0.0688 0.131
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0037 0.0052
Brugia malayi intermediate filament protein 0.0021 0.0043 0.0059
Schistosoma mansoni transcription factor LCR-F1 0.0221 0.1495 0.3001
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0121 0.0769 0.1543
Loa Loa (eye worm) hypothetical protein 0.0038 0.0166 0.023
Toxoplasma gondii hypothetical protein 0.0048 0.0234 0.2197
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0106 0.0154
Loa Loa (eye worm) Smad1 0.0069 0.0386 0.0535
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0051 0.0051
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0243 0.0489
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0086 0.0125
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0046 0.0224 0.031
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0037 0.0183
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0845 0.6024 0.6024
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0021 0.0043 0.0059
Echinococcus multilocularis beta LACTamase domain containing family member 0.011 0.0688 0.0688
Leishmania major DNA polymerase eta, putative 0.0021 0.0037 0.0183
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0324 0.1587
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0321 0.0321
Brugia malayi PHD-finger family protein 0.003 0.0108 0.0149
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0037 0.0052
Trichomonas vaginalis D-aminoacylase, putative 0.011 0.0688 0.0999
Mycobacterium tuberculosis Probable lipase LipE 0.011 0.0688 0.131
Toxoplasma gondii kinesin motor domain-containing protein 0.0032 0.0121 0.0542
Schistosoma mansoni smad1 5 8 and 0.0069 0.0386 0.0775
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0168 0.0233
Onchocerca volvulus 0.011 0.0688 0.0942
Echinococcus granulosus intermediate filament protein 0.0021 0.0043 0.0043
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.061 0.061
Onchocerca volvulus 0.011 0.0688 0.0942
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0194 0.0194
Mycobacterium ulcerans hypothetical protein 0.0156 0.1021 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0248 0.0248
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0906 0.4441
Brugia malayi Bromodomain containing protein 0.0075 0.0432 0.0599
Loa Loa (eye worm) hypothetical protein 0.011 0.0688 0.0953
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0088 0.0128
Loa Loa (eye worm) phosphatidylinositol 3 0.0046 0.0224 0.031
Loa Loa (eye worm) hypothetical protein 0.011 0.0688 0.0953
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0168 0.0337
Echinococcus granulosus histone lysine methyltransferase setb 0.0138 0.0893 0.0893
Loa Loa (eye worm) MH2 domain-containing protein 0.1008 0.7213 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0043 0.0059
Echinococcus granulosus zinc finger protein 0.002 0.0029 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0069 0.01
Trichomonas vaginalis penicillin-binding protein, putative 0.011 0.0688 0.0999
Schistosoma mansoni hypothetical protein 0.0021 0.0037 0.0074
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0148 0.0148
Echinococcus multilocularis zinc finger protein 0.002 0.0029 0.0029
Schistosoma mansoni tar DNA-binding protein 0.0332 0.2299 0.4613
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0121 0.0769 0.0769
Brugia malayi hypothetical protein 0.0017 0.0014 0.0019
Onchocerca volvulus 0.0204 0.1367 0.1935
Brugia malayi Smad1 0.0069 0.0386 0.0535
Giardia lamblia GTOR 0.0046 0.0224 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0243 0.0338
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.019 0.093
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0051 0.0102
Echinococcus multilocularis lamin 0.0021 0.0043 0.0043
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0037 0.0155 0.0761
Plasmodium falciparum kinesin-5 0.0032 0.0121 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.011 0.0153
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0324 0.0576
Trypanosoma cruzi target of rapamycin kinase 3 0.0037 0.0155 0.0761
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0037 0.0051
Brugia malayi TAR-binding protein 0.0332 0.2299 0.3187
Brugia malayi Intermediate filament tail domain containing protein 0.0021 0.0043 0.0059
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0069 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0069 0.01
Brugia malayi hypothetical protein 0.0221 0.1495 0.2073
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0037 0.0183
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0117 0.0737 0.0737
Loa Loa (eye worm) MH2 domain-containing protein 0.0069 0.0386 0.0535
Schistosoma mansoni hypothetical protein 0.0701 0.4984 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0224 0.0325
Loa Loa (eye worm) hypothetical protein 0.0027 0.0083 0.0116
Schistosoma mansoni hypothetical protein 0.0107 0.0666 0.1336
Schistosoma mansoni tar DNA-binding protein 0.0332 0.2299 0.4613
Mycobacterium tuberculosis Conserved protein 0.011 0.0688 0.131
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0069 0.01
Loa Loa (eye worm) intermediate filament protein 0.0021 0.0043 0.0059
Schistosoma mansoni DNA polymerase eta 0.0021 0.0037 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0155 0.0225
Trypanosoma brucei hypothetical protein, conserved 0.011 0.0688 0.3373
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0086 0.0125
Echinococcus granulosus dna polymerase kappa 0.0021 0.0037 0.0037
Toxoplasma gondii ABC1 family protein 0.011 0.0688 0.8812
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.011 0.0688 0.0953
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0037 0.0183
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0194 0.0194
Loa Loa (eye worm) hypothetical protein 0.0138 0.0893 0.1238
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0138 0.02
Brugia malayi MH1 domain containing protein 0.0069 0.0386 0.0535
Schistosoma mansoni smad1 5 8 and 0.0069 0.0386 0.0775
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0046 0.0224 0.1098
Echinococcus multilocularis Smad4 0.0069 0.0386 0.0386
Mycobacterium ulcerans esterase/lipase LipP 0.011 0.0688 0.6614
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0037 0.0183
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0155 0.0225
Echinococcus granulosus dna polymerase eta 0.0021 0.0037 0.0037
Schistosoma mansoni Smad4 0.0031 0.011 0.0221
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0037 0.0183
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0037 0.0183
Brugia malayi MH1 domain containing protein 0.0038 0.0163 0.0226
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0243 0.0243
Entamoeba histolytica hypothetical protein 0.0221 0.1495 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0324 0.0649
Trypanosoma brucei unspecified product 0.0021 0.0037 0.0183
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0037 0.0052
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0154 0.0154
Entamoeba histolytica hypothetical protein 0.0221 0.1495 1
Brugia malayi jmjC domain containing protein 0.0099 0.061 0.0845
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0051 0.0051
Echinococcus multilocularis musashi 0.0021 0.0043 0.0043
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.011 0.0688 0.0953
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0037 0.0155 0.0761
Schistosoma mansoni cellular tumor antigen P53 0.0204 0.1367 0.2743
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.011 0.0688 0.131
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0037 0.0037
Echinococcus granulosus peregrin 0.0033 0.0125 0.0125
Echinococcus granulosus beta LACTamase domain containing family member 0.011 0.0688 0.0688
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 0.1021 0.198
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0175 0.0254
Schistosoma mansoni bromodomain containing protein 0.0063 0.0347 0.0696
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0037 0.0183
Brugia malayi PHD-finger family protein 0.0025 0.0068 0.0094
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0037 0.0183
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.0688 0.3373
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0155 0.0225
Echinococcus multilocularis dna polymerase eta 0.0021 0.0037 0.0037
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0046 0.0224 0.0224
Brugia malayi RNA recognition motif domain containing protein 0.0332 0.2299 0.3187
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0296 0.2039 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0046 0.0224 0.1279
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0037 0.0075
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0046 0.0224 0.1098
Schistosoma mansoni hypothetical protein 0.005 0.0248 0.0497
Echinococcus multilocularis mothers against decapentaplegic 6 0.0031 0.011 0.011
Schistosoma mansoni smad 0.0031 0.011 0.0221
Plasmodium vivax kinesin-5 0.0032 0.0121 0.0542
Schistosoma mansoni intermediate filament proteins 0.0021 0.0043 0.0086
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0069 0.0386 0.0386
Schistosoma mansoni Smad4 0.0069 0.0386 0.0775
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0138 0.0893 0.0893
Echinococcus multilocularis mothers against decapentaplegic 2 0.0031 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0021 0.004 0.0056
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0069 0.01
Brugia malayi jmjC domain containing protein 0.0039 0.0168 0.0233
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0324 0.3501
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0221 0.1495 0.1495
Schistosoma mansoni hypothetical protein 0.0701 0.4984 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0224 0.0325
Onchocerca volvulus 0.0963 0.6887 1
Schistosoma mansoni tar DNA-binding protein 0.0332 0.2299 0.4613
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0046 0.0224 0.0449
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0138 0.02
Brugia malayi hypothetical protein 0.0027 0.0083 0.0116
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0324 0.291
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0121 0.0769 0.1543
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.0906 0.4441
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0037 0.0054
Mycobacterium tuberculosis Probable esterase LipL 0.011 0.0688 0.131
Loa Loa (eye worm) hypothetical protein 0.003 0.0108 0.0149
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0248 0.0248
Plasmodium vivax hypothetical protein, conserved 0.003 0.0108 0.0353
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0332 0.2299 0.3187
Entamoeba histolytica hypothetical protein 0.0221 0.1495 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of ATPase activity of MKLP1 by luminescent kinase assay ChEMBL. 19167222
Activity (binding) Inhibition of ATPase activity of kid by luminescent kinase assay ChEMBL. 19167222
IC50 (binding) = 1.4 umol/L Inhibition of microtubule-stimulated recombinant Eg5 assessed as inhibition ATP hydrolysis by luminescent kinase assay ChEMBL. 19167222
IC50 (functional) = 13 umol/L Cytotoxicity against human HeLa cells after 48 hrs by MTS assay ChEMBL. 19167222
MI50 (functional) = 9.9 umol/L Cell cycle arrest in human HeLa cells using DAPI staining by microscopy ChEMBL. 19167222

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19167222

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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