Detailed information for compound 1082767

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 390.414 | Formula: C21H19FN6O
  • H donors: 2 H acceptors: 4 LogP: 0.97 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CC2(C1)CNC(=O)c1c2[nH]c2c1CCc1c2nc(nc1)c1ccc(nc1)F
  • InChi: 1S/C21H19FN6O/c1-28-9-21(10-28)8-25-20(29)15-13-4-2-11-6-24-19(12-3-5-14(22)23-7-12)27-16(11)17(13)26-18(15)21/h3,5-7,26H,2,4,8-10H2,1H3,(H,25,29)
  • InChiKey: WPSLEAFBLLIBPF-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 mitogen-activated protein kinase-activated protein kinase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative Get druggable targets OG5_131483 All targets in OG5_131483
Brugia malayi map kinase activated protein kinase protein 2 Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus granulosus MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus multilocularis MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
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-activated protein kinase 2 370 aa 303 aa 26.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax pyruvate kinase, putative 0.0034 0.0241 0.4289
Toxoplasma gondii methionyl-tRNA synthetase 0.0056 0.0563 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0281 0.0135
Loa Loa (eye worm) hypothetical protein 0.0034 0.0241 0.0641
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0024 0.0091 0.0118
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0056 0.0563 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0134 0.1709 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0261 0.4529
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0532 0.0532
Schistosoma mansoni methionine-tRNA synthetase 0.0056 0.0563 0.0563
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0134 0.1709 1
Echinococcus granulosus cathepsin l1 0.0035 0.0261 0.0261
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0281 0.0135
Echinococcus multilocularis muscleblind protein 1 0.0152 0.1965 0.1965
Loa Loa (eye worm) hypothetical protein 0.0037 0.0281 0.0778
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0018 0.0011 0.0011
Loa Loa (eye worm) beta-lactamase 0.0037 0.0281 0.0778
Schistosoma mansoni hypothetical protein 0.0035 0.0252 0.0252
Echinococcus multilocularis microtubule associated protein 2 0.0702 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0018 0.0011 0.0011
Echinococcus multilocularis pyruvate kinase 0.0034 0.0241 0.0241
Brugia malayi Cathepsin L-like cysteine proteinase 0.0024 0.009 0.0273
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0241 0.4175
Mycobacterium tuberculosis Conserved protein 0.0037 0.0281 0.0135
Loa Loa (eye worm) hypothetical protein 0.0152 0.1965 0.6649
Brugia malayi Cathepsin L-like precursor 0.0035 0.0261 0.0857
Leishmania major cathepsin L-like protease 0.0035 0.0261 0.1232
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.009 0.1441
Plasmodium vivax unspecified product 0.0018 0.0011 0.0195
Brugia malayi Cathepsin L-like precursor 0.0035 0.0261 0.0857
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0091 0.0118
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0261 0.4529
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0281 0.1588
Brugia malayi beta-lactamase 0.0037 0.0281 0.0925
Loa Loa (eye worm) hypothetical protein 0.0035 0.0252 0.0678
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0511 0.9063
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0035 0.0251 0.0674
Leishmania major cathepsin L-like protease 0.0134 0.1709 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.0511 0.2746
Echinococcus granulosus cathepsin l cysteine peptidase 0.0035 0.0261 0.0261
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0021 0.0057 0.186
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.0511 0.2945
Plasmodium falciparum methionine--tRNA ligase 0.0056 0.0563 1
Brugia malayi cathepsin L-like precursor 0.0024 0.009 0.0273
Trypanosoma cruzi major cysteine proteinase, putative 0.0106 0.1288 0.7525
Onchocerca volvulus 0.0037 0.0281 0.5498
Trypanosoma brucei protein kinase, putative 0.0052 0.0511 0.2945
Onchocerca volvulus 0.0035 0.0261 0.4926
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0035 0.0261 0.0261
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0261 0.4529
Loa Loa (eye worm) hypothetical protein 0.0037 0.0281 0.0778
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0218 0.2927 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0281 0.0925
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0134 0.1709 1
Onchocerca volvulus 0.0037 0.0281 0.5498
Giardia lamblia Methionyl-tRNA synthetase 0.0056 0.0563 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0281 0.0135
Trypanosoma brucei pyruvate kinase 1 0.0034 0.0241 0.1357
Plasmodium falciparum pyruvate kinase 0.0034 0.0241 0.4289
Schistosoma mansoni cathepsin F (C01 family) 0.0024 0.009 0.009
Giardia lamblia Pyruvate kinase 0.0034 0.0241 0.4289
Schistosoma mansoni hypothetical protein 0.0288 0.3944 0.3944
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0241 0.1357
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0056 0.0563 1
Onchocerca volvulus 0.0037 0.0281 0.5498
Echinococcus granulosus cathepsin l1 0.0024 0.009 0.009
Schistosoma mansoni serine/threonine protein kinase 0.0218 0.2927 0.2927
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0134 0.1709 1
Plasmodium vivax vivapain-3 0.0018 0.0011 0.0195
Brugia malayi Cathepsin L-like precursor 0.0035 0.0261 0.0857
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0035 0.0261 0.4529
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0241 0.4361
Mycobacterium ulcerans beta-lactamase 0.0037 0.0281 0.4417
Brugia malayi Cathepsin L-like precursor 0.0024 0.009 0.0273
Leishmania major methionyl-tRNA synthetase, putative 0.0056 0.0563 0.3059
Leishmania major cathepsin L-like protease 0.0035 0.0261 0.1232
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0281 0.4417
Toxoplasma gondii tRNA ligases class I (M) protein 0.0021 0.0057 0.1021
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0261 0.4529
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024 0.009 0.1441
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0261 0.4529
Leishmania major pyruvate kinase 0.0034 0.0241 0.1113
Echinococcus granulosus cysteine protease 0.0018 0.0011 0.0011
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0261 0.4529
Echinococcus granulosus pyruvate kinase 0.0034 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0037 0.0281 0.0778
Leishmania major cathepsin L-like protease 0.0035 0.0261 0.1232
Loa Loa (eye worm) hypothetical protein 0.0051 0.0486 0.1495
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.0511 0.0511
Brugia malayi methionyl-tRNA synthetase 0.0056 0.0563 0.1892
Onchocerca volvulus Cathepsin L homolog 0.0035 0.0261 0.4926
Trypanosoma cruzi cysteine peptidase, putative 0.0134 0.1709 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0035 0.0261 0.0709
Echinococcus granulosus cathepsin L cysteine protease 0.0018 0.0011 0.0011
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0123 0.1538 0.8997
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0261 0.4529
Onchocerca volvulus 0.0035 0.0261 0.4926
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0056 0.0563 0.3249
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0511 0.2945
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0511 0.9063
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0134 0.1709 1
Brugia malayi beta-lactamase family protein 0.0037 0.0281 0.0925
Brugia malayi mbt repeat family protein 0.0047 0.0436 0.1458
Giardia lamblia Kinase, CMGC MAPK 0.0052 0.0511 0.9081
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0241 0.4361
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0281 0.4888
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0261 0.4529
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0281 0.4888
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0486 0.163
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0035 0.0261 0.4636
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0134 0.1709 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0134 0.1709 1
Brugia malayi Cathepsin L-like precursor 0.0035 0.0261 0.0857
Echinococcus granulosus cathepsin L cysteine proteinase 0.0035 0.0261 0.0261
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0261 0.4529
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0186 0.2467 0.2467
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0486 0.1495
Loa Loa (eye worm) ctsf protein 0.0035 0.0261 0.0709
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0532 0.0532
Entamoeba histolytica cysteine proteinase, putative 0.0024 0.009 0.3182
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.0511 0.0511
Onchocerca volvulus Cathepsin F homolog 0.0035 0.0261 0.4926
Loa Loa (eye worm) hypothetical protein 0.0035 0.0261 0.0709
Loa Loa (eye worm) hypothetical protein 0.0037 0.0281 0.0778
Leishmania major cysteine peptidase A (CPA) 0.0035 0.0261 0.1232
Loa Loa (eye worm) MBCTL1 0.0054 0.0532 0.1653
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0186 0.2467 0.2467
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0241 0.0641
Entamoeba histolytica cysteine proteinase, putative 0.0035 0.0261 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0436 1
Chlamydia trachomatis pyruvate kinase 0.0034 0.0241 1
Echinococcus multilocularis pyruvate kinase 0.0034 0.0241 0.0241
Schistosoma mansoni cathepsin F (C01 family) 0.0035 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0037 0.0281 0.0778
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0035 0.0261 0.0709
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0021 0.0057 0.0057
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0281 0.4417
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0281 0.0135
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0261 0.4529
Trypanosoma cruzi cysteine peptidase, putative 0.0134 0.1709 1
Entamoeba histolytica cysteine proteinase, putative 0.0035 0.0261 1
Mycobacterium ulcerans pyruvate kinase 0.0034 0.0241 0.3639
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0134 0.1709 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0134 0.1709 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0035 0.0261 0.0261
Onchocerca volvulus 0.0035 0.0261 0.4926
Brugia malayi protein ZK524.3 0.0021 0.0057 0.0159
Plasmodium falciparum cysteine proteinase falcipain 1 0.0018 0.0011 0.0195
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0436 0.0436
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.0511 0.9081
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0261 0.4529
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.3164 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0511 0.2945
Echinococcus multilocularis cysteine protease 0.0035 0.0261 0.0261
Plasmodium vivax methionine--tRNA ligase, putative 0.0056 0.0563 1
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0056 0.0563 0.1099
Echinococcus granulosus methionine tRNA synthetase 0.0056 0.0563 0.0563
Leishmania major cathepsin L-like protease 0.0035 0.0261 0.1232
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.0511 0.2945
Schistosoma mansoni pyruvate kinase 0.0034 0.0241 0.0241
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0261 0.4529
Mycobacterium tuberculosis Conserved protein 0.0037 0.0281 0.0135
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0035 0.0261 0.4636
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0091 0.3214
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.0241 0.079
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.0241 0.079
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0532 0.0532
Brugia malayi Cathepsin L-like precursor 0.0024 0.009 0.0273
Brugia malayi mbt repeat family protein 0.0047 0.0436 0.1458
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0281 0.4988
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0486 0.163
Leishmania major cathepsin L-like protease 0.0134 0.1709 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0281 0.0135
Brugia malayi methionyl-tRNA synthetase 0.0021 0.0057 0.0159
Echinococcus multilocularis cathepsin L cysteine protease 0.0035 0.0261 0.0261
Brugia malayi MH2 domain containing protein 0.013 0.1645 0.5604
Plasmodium falciparum cysteine proteinase falcipain 3 0.0035 0.0261 0.4636
Toxoplasma gondii ABC1 family protein 0.0037 0.0281 0.4988
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0261 0.4529
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0436 0.0436
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0281 0.4888
Schistosoma mansoni cathepsin F (C01 family) 0.0035 0.0261 0.0261
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0056 0.0563 1
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.1645 0.5533
Onchocerca volvulus 0.0047 0.0436 1
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.0511 0.0511
Schistosoma mansoni hypothetical protein 0.0168 0.2199 0.2199
Leishmania major pyruvate kinase 0.0034 0.0241 0.1113
Echinococcus granulosus cathepsin L 0.0018 0.0011 0.0011
Toxoplasma gondii cathepsin CPL 0.0035 0.0261 0.4636
Leishmania major cathepsin L-like protease 0.0134 0.1709 1
Onchocerca volvulus 0.0035 0.0251 0.4634
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.0241 0.4289
Leishmania major cathepsin L-like protease 0.0035 0.0261 0.1232
Echinococcus multilocularis pyruvate kinase 0.0027 0.0137 0.0137
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0281 0.0135
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0241 0.4175
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0281 0.4888
Plasmodium vivax vivapain-2 0.0035 0.0261 0.4636
Mycobacterium ulcerans lipase LipD 0.0037 0.0281 0.4417
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.0511 0.2945
Loa Loa (eye worm) hypothetical protein 0.0152 0.1965 0.6649
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.0511 0.2746
Trypanosoma cruzi cysteine peptidase, putative 0.0134 0.1709 1
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.1645 0.5533
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0436 0.132
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0261 0.4529
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0261 0.4529
Trichomonas vaginalis esterase, putative 0.0037 0.0281 0.4888
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0281 0.0135
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0056 0.0563 0.3249
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0281 0.1588
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0218 0.2927 0.2927
Mycobacterium ulcerans hypothetical protein 0.0037 0.0281 0.4417
Brugia malayi beta-lactamase family protein 0.0037 0.0281 0.0925
Loa Loa (eye worm) cysteine protease 0.0035 0.0261 0.0709
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0261 0.4529
Echinococcus multilocularis muscleblind protein 0.0152 0.1965 0.1965
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0018 0.0011 0.0011
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0281 0.4888
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0057 0.1021
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.0511 0.158
Giardia lamblia Leucyl-tRNA synthetase 0.0021 0.0057 0.1021
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0436 0.0436
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0436 0.0436
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.0511 0.0511
Schistosoma mansoni pyruvate kinase 0.0034 0.0241 0.0241
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0281 0.0778
Echinococcus multilocularis leucyl tRNA synthetase 0.0021 0.0057 0.0057
Brugia malayi Cathepsin L-like precursor 0.0035 0.0261 0.0857
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0134 0.1709 1
Plasmodium vivax methionine--tRNA ligase, putative 0.0021 0.0057 0.1021
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0532 0.0532
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0261 0.4529
Loa Loa (eye worm) hypothetical protein 0.0024 0.009 0.0115
Plasmodium vivax vivapain-1 0.0018 0.0011 0.0195
Echinococcus multilocularis cathepsin L 0.0018 0.0011 0.0011
Onchocerca volvulus 0.0035 0.0261 0.4926
Entamoeba histolytica cysteine protease, putative 0.0035 0.0261 1
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0436 0.0436
Mycobacterium leprae Probable lipase LipE 0.0037 0.0281 0.1224
Schistosoma mansoni hypothetical protein 0.0168 0.2199 0.2199
Plasmodium falciparum methionine--tRNA ligase, putative 0.0021 0.0057 0.1021
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0241 0.1357
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0532 0.0532
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0281 0.0135
Loa Loa (eye worm) hypothetical protein 0.0024 0.009 0.0115
Leishmania major hypothetical protein, conserved 0.0037 0.0281 0.1351
Schistosoma mansoni microtubule-associated protein tau 0.0702 1 1
Treponema pallidum methionyl-tRNA synthetase 0.0021 0.0057 0.5
Echinococcus multilocularis cysteine protease 0.0035 0.0261 0.0261
Echinococcus multilocularis methionine tRNA synthetase 0.0056 0.0563 0.0563
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0241 0.0641
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0054 0.0532 0.1653
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0261 0.4529
Treponema pallidum leucyl-tRNA synthetase 0.0021 0.0057 0.5
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0218 0.2927 0.2927
Loa Loa (eye worm) hypothetical protein 0.0024 0.009 0.0115
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0436 0.0436
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0532 0.1786
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0035 0.0261 0.0261
Plasmodium vivax vivapain-2 0.0035 0.0261 0.4636
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0511 0.9063
Brugia malayi Cathepsin L-like precursor 0.0035 0.0261 0.0857
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0035 0.0261 0.4529
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0281 0.0281
Schistosoma mansoni methionine-tRNA synthetase 0.0021 0.0057 0.0057
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0021 0.0057 0.0057
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0436 0.0436
Brugia malayi Papain family cysteine protease containing protein 0.0035 0.0261 0.0857
Trypanosoma cruzi cysteine peptidase, putative 0.0035 0.0261 0.1472
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0261 0.4529
Onchocerca volvulus 0.0035 0.0261 0.4926
Brugia malayi Muscleblind-like protein 0.0152 0.1965 0.6702
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0261 0.4529
Brugia malayi MAP kinase sur-1 0.0052 0.0511 0.1714
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.0241 0.1357
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0241 0.0641
Trypanosoma cruzi cruzipain precursor, putative 0.0134 0.1709 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0252 0.0826
Loa Loa (eye worm) hypothetical protein 0.0037 0.0281 0.0778
Onchocerca volvulus 0.0035 0.0261 0.4926
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0281 0.0281
Onchocerca volvulus Cathepsin L homolog 0.0035 0.0261 0.4926
Echinococcus granulosus pyruvate kinase 0.0034 0.0241 0.0241
Schistosoma mansoni leucyl-tRNA synthetase 0.0021 0.0057 0.0057
Echinococcus multilocularis geminin 0.0168 0.2199 0.2199
Brugia malayi map kinase activated protein kinase protein 2 0.0218 0.2927 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0261 0.4529
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0261 0.4529
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0241 0.4361
Echinococcus granulosus muscleblind protein 0.0152 0.1965 0.1965
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0511 0.0511
Loa Loa (eye worm) hypothetical protein 0.0047 0.0436 0.132
Loa Loa (eye worm) fibroinase 0.0035 0.0261 0.0709
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0056 0.0563 0.176
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0281 0.1588
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0511 0.9063
Echinococcus granulosus geminin 0.0168 0.2199 0.2199
Onchocerca volvulus 0.0035 0.0261 0.4926
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0281 0.1224
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0056 0.0563 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0134 0.1709 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0261 0.4529

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.007 uM Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis ChEMBL. 20591669
IC50 (functional) = 0.7 uM Inhibition of LPS-induced TNFalpha production in human PBMC preincubated for 30 mins measured after 3 hrs of LPS stimulation ChEMBL. 20591669
IC50 (binding) = 1.8 uM Inhibition of MK2 mediated anisomycin-stimulated hsp27 phosphorylation in human THP-1 cells by fluorometric analysis ChEMBL. 20591669

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20591669

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.