Detailed information for compound 210649

Basic information

Technical information
  • TDR Targets ID: 210649
  • Name: 5-N-[(3,4-dichlorophenyl)methyl]-5-N-methyl-6 -[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyr imidine-4,5-diamine
  • MW: 469.366 | Formula: C23H22Cl2N6O
  • H donors: 1 H acceptors: 3 LogP: 3.8 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1c(ncnc1N)C#Cc1ccc(nc1)N1CCOCC1)Cc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C23H22Cl2N6O/c1-30(14-17-2-5-18(24)19(25)12-17)22-20(28-15-29-23(22)26)6-3-16-4-7-21(27-13-16)31-8-10-32-11-9-31/h2,4-5,7,12-13,15H,8-11,14H2,1H3,(H2,26,28,29)
  • InChiKey: BFEFQNJAWMZVCN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N5-[(3,4-dichlorophenyl)methyl]-N5-methyl-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidine-4,5-diamine
  • N5-[(3,4-dichlorophenyl)methyl]-N5-methyl-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidine-4,5-diamine
  • [4-amino-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidin-5-yl]-(3,4-dichlorobenzyl)-methyl-amine
  • N'-[(3,4-dichlorophenyl)methyl]-N'-methyl-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidine-4,5-diamine
  • N'-[(3,4-dichlorophenyl)methyl]-N'-methyl-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidine-4,5-diamine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Adenosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Trypanosoma brucei gambiense adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Candida albicans adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Schistosoma japonicum ko:K00856 adenosine kinase [EC2.7.1.20], putative Get druggable targets OG5_128398 All targets in OG5_128398
Trypanosoma congolense adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128398 All targets in OG5_128398
Leishmania mexicana adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Babesia bovis adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Leishmania braziliensis adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Echinococcus granulosus adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Cryptosporidium parvum adenosine kinase like ribokinase Get druggable targets OG5_128398 All targets in OG5_128398
Candida albicans putative adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Schistosoma mansoni adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Toxoplasma gondii kinase, pfkB family protein Get druggable targets OG5_128398 All targets in OG5_128398
Schistosoma mansoni adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Trypanosoma brucei adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Trypanosoma brucei adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Trypanosoma cruzi adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Neospora caninum GG10762, related Get druggable targets OG5_128398 All targets in OG5_128398
Leishmania infantum adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Echinococcus multilocularis adenosine kinase Get druggable targets OG5_128398 All targets in OG5_128398
Trypanosoma brucei gambiense adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Leishmania major adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
Brugia malayi Adenosine kinase-like Get druggable targets OG5_128398 All targets in OG5_128398
Onchocerca volvulus Get druggable targets OG5_128398 All targets in OG5_128398
Leishmania donovani adenosine kinase, putative Get druggable targets OG5_128398 All targets in OG5_128398
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans similar to Ribokinase Adenosine kinase   361 aa 309 aa 20.7 %
Schistosoma mansoni ribokinase Adenosine kinase   361 aa 289 aa 23.2 %
Leishmania braziliensis adenosine kinase-like protein Adenosine kinase   361 aa 351 aa 37.6 %
Leishmania major adenosine kinase-like protein Adenosine kinase   361 aa 351 aa 36.8 %
Leishmania mexicana adenosine kinase-like protein Adenosine kinase   361 aa 344 aa 36.6 %
Leishmania donovani adenosine kinase-like protein Adenosine kinase   361 aa 351 aa 37.6 %
Candida albicans similar to Ribokinase Adenosine kinase   361 aa 303 aa 21.5 %
Leishmania infantum adenosine kinase-like protein Adenosine kinase   361 aa 351 aa 37.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Cysteine protease 0.0209 0.1013 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0209 0.1013 0.1013
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0209 0.1013 0.1013
Entamoeba histolytica cysteine proteinase, putative 0.0585 0.4656 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0209 0.1013 0.1013
Plasmodium vivax vivapain-2 0.1135 1 1
Giardia lamblia Cathepsin L-like protease 0.0209 0.1013 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0585 0.4656 0.4656
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0209 0.1013 0.1013
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1135 1 1
Entamoeba histolytica cysteine protease, putative 0.0585 0.4656 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0209 0.1013 0.1013
Leishmania major cathepsin L-like protease 0.1135 1 1
Echinococcus multilocularis cysteine protease 0.1135 1 1
Brugia malayi Papain family cysteine protease containing protein 0.1135 1 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0209 0.1013 0.1013
Trypanosoma cruzi cysteine peptidase, putative 0.1135 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0209 0.1013 0.1013
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0585 0.4656 0.4656
Onchocerca volvulus 0.1135 1 1
Toxoplasma gondii cathepsin CPC2 0.0209 0.1013 0.1013
Schistosoma mansoni cathepsin F (C01 family) 0.1135 1 1
Echinococcus multilocularis cathepsin b 0.0209 0.1013 0.1013
Brugia malayi cathepsin F-like cysteine proteinase 0.0375 0.2623 0.2623
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog 0.0129 0.023 0.023
Schistosoma mansoni cathepsin S (C01 family) 0.0209 0.1013 0.1013
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0209 0.1013 0.5
Loa Loa (eye worm) hypothetical protein 0.0209 0.1013 0.1013
Schistosoma mansoni cathepsin s 0.0375 0.2623 0.2623
Echinococcus granulosus cathepsin l1 0.1135 1 1
Echinococcus granulosus cathepsin l1 0.076 0.6357 0.6357
Toxoplasma gondii cathepsin B 0.0209 0.1013 0.1013
Giardia lamblia Cathepsin B precursor 0.0209 0.1013 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0585 0.4656 0.4054
Loa Loa (eye worm) hypothetical protein 0.0375 0.2623 0.2623
Brugia malayi Cathepsin L-like precursor 0.1135 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0355 0.2426 0.2426
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0209 0.1013 0.1013
Onchocerca volvulus Cathepsin L homolog 0.1135 1 1
Onchocerca volvulus Cathepsin L homolog 0.1135 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.1135 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0585 0.4656 0.4656
Entamoeba histolytica cysteine protease, putative 0.0585 0.4656 0.4054
Echinococcus multilocularis cysteine protease 0.1135 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0355 0.2426 0.2426
Trypanosoma cruzi cysteine proteinase, putative 0.0585 0.4656 0.4656
Brugia malayi Papain family cysteine protease containing protein 0.0209 0.1013 0.1013
Entamoeba histolytica cysteine protease, putative 0.1135 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.1135 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1135 1 1
Entamoeba histolytica cysteine protease, putative 0.0585 0.4656 0.4054
Brugia malayi cathepsin L-like precursor 0.076 0.6357 0.6357
Echinococcus granulosus cathepsin L cysteine proteinase 0.1135 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.1135 1 1
Loa Loa (eye worm) hypothetical protein 0.0209 0.1013 0.1013
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1135 1 1
Giardia lamblia Cathepsin B precursor 0.0209 0.1013 0.5
Giardia lamblia Encystation-specific protease 0.0209 0.1013 0.5
Loa Loa (eye worm) hypothetical protein 0.0129 0.023 0.023
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0209 0.1013 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.1135 1 1
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0209 0.1013 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0209 0.1013 0.1013
Giardia lamblia Cathepsin L precursor 0.0209 0.1013 0.5
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0375 0.2623 0.2623
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0209 0.1013 0.1013
Leishmania major cathepsin L-like protease 0.1135 1 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0209 0.1013 0.1013
Giardia lamblia Cathepsin L precursor 0.0209 0.1013 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1135 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1135 1 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0209 0.1013 0.1013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1135 1 1
Brugia malayi Cathepsin L-like precursor 0.0375 0.2623 0.2623
Giardia lamblia Cysteine protease 0.0209 0.1013 0.5
Entamoeba histolytica cysteine protease, putative 0.0585 0.4656 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1135 1 1
Giardia lamblia Cathepsin L precursor 0.0209 0.1013 0.5
Brugia malayi Cathepsin L-like precursor 0.1135 1 1
Entamoeba histolytica cysteine protease, putative 0.0585 0.4656 0.4054
Loa Loa (eye worm) hypothetical protein 0.0209 0.1013 0.1013
Plasmodium vivax vivapain-2 0.1135 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.076 0.6357 0.5946
Onchocerca volvulus 0.1135 1 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0209 0.1013 0.1013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1135 1 1
Leishmania major cathepsin L-like protease 0.1135 1 1
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.0129 0.023 0.023
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0209 0.1013 0.1013
Loa Loa (eye worm) hypothetical protein 0.076 0.6357 0.6357
Giardia lamblia Cathepsin L precursor 0.0209 0.1013 0.5
Loa Loa (eye worm) hypothetical protein 0.0209 0.1013 0.1013
Giardia lamblia Cathepsin L precursor 0.0209 0.1013 0.5
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0585 0.4656 0.4656
Brugia malayi Cathepsin L-like precursor 0.1135 1 1
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0209 0.1013 0.1013
Echinococcus granulosus cathepsin L cysteine protease 0.0585 0.4656 0.4656
Echinococcus granulosus cathepsin b 0.0209 0.1013 0.1013
Brugia malayi Cathepsin L-like precursor 0.076 0.6357 0.6357
Echinococcus multilocularis cathepsin L cysteine protease 0.1135 1 1
Schistosoma mansoni cathepsin B (C01 family) 0.0209 0.1013 0.1013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.076 0.6357 0.5946
Giardia lamblia Cysteine protease 0.0209 0.1013 0.5
Echinococcus multilocularis cathepsin L 0.0585 0.4656 0.4656
Onchocerca volvulus Cathepsin F homolog 0.1135 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1135 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0585 0.4656 0.4054
Brugia malayi Cathepsin L-like precursor 0.076 0.6357 0.6357
Giardia lamblia Cathepsin B precursor 0.0209 0.1013 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0209 0.1013 0.1013
Plasmodium vivax vivapain-1 0.0585 0.4656 0.4054
Plasmodium vivax vivapain-3 0.0585 0.4656 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0585 0.4656 0.4656
Loa Loa (eye worm) hypothetical protein 0.0209 0.1013 0.1013
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0209 0.1013 0.1013
Brugia malayi Cathepsin L-like precursor 0.1135 1 1
Onchocerca volvulus 0.1135 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0355 0.2426 0.2426
Onchocerca volvulus 0.1135 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1135 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1135 1 1
Loa Loa (eye worm) fibroinase 0.1135 1 1
Entamoeba histolytica cysteine protease, putative 0.0585 0.4656 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.1135 1 1
Giardia lamblia Cathepsin B precursor 0.0209 0.1013 0.5
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0585 0.4656 0.4656
Echinococcus granulosus cathepsin L 0.0209 0.1013 0.1013
Trypanosoma cruzi cysteine proteinase, putative 0.0585 0.4656 0.4656
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0209 0.1013 0.1013
Leishmania major cathepsin L-like protease 0.1135 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.1135 1 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0375 0.2623 0.2623
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1135 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1135 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.076 0.6357 0.6357
Entamoeba histolytica cysteine protease, putative 0.0585 0.4656 0.4054
Onchocerca volvulus 0.1135 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0585 0.4656 0.4656
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0209 0.1013 0.1013
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1135 1 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0585 0.4656 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.1135 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.1135 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1135 1 1
Onchocerca volvulus 0.076 0.6357 0.5946
Leishmania major cysteine peptidase A (CPA) 0.1135 1 1
Brugia malayi fibroinase precursor 0.0209 0.1013 0.1013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1135 1 1
Echinococcus multilocularis cathepsin b 0.0209 0.1013 0.1013
Loa Loa (eye worm) hypothetical protein 0.076 0.6357 0.6357
Giardia lamblia Cathepsin B precursor 0.0209 0.1013 0.5
Entamoeba histolytica cysteine protease, putative 0.0585 0.4656 0.4054
Giardia lamblia Cathepsin B precursor 0.0209 0.1013 0.5
Echinococcus granulosus cysteine protease 0.0585 0.4656 0.4656
Leishmania major cathepsin L-like protease 0.1135 1 1
Entamoeba histolytica cysteine protease, putative 0.0585 0.4656 0.4054
Loa Loa (eye worm) hypothetical protein 0.0129 0.023 0.023
Loa Loa (eye worm) ctsf protein 0.1135 1 1
Schistosoma mansoni cathepsin C 0.0209 0.1013 0.1013
Trypanosoma cruzi cysteine peptidase, putative 0.0375 0.2623 0.2623
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0209 0.1013 0.1013
Loa Loa (eye worm) hypothetical protein 0.0375 0.2623 0.2623
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1135 1 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0209 0.1013 0.1013
Brugia malayi cathepsin L-like cysteine proteinase 0.0209 0.1013 0.1013
Trypanosoma cruzi cruzipain precursor, putative 0.0375 0.2623 0.2623
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1135 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1135 1 1
Toxoplasma gondii cathepsin CPL 0.1135 1 1
Entamoeba histolytica cysteine protease, putative 0.0585 0.4656 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1135 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.1135 1 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0209 0.1013 0.1013
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1135 1 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0209 0.1013 0.1013
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1135 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1135 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0209 0.1013 0.1013
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1135 1 1
Leishmania major cathepsin L-like protease 0.1135 1 1
Entamoeba histolytica cysteine protease, putative 0.0585 0.4656 0.4054
Loa Loa (eye worm) hypothetical protein 0.0375 0.2623 0.2623
Brugia malayi Cathepsin L-like precursor 0.1135 1 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0209 0.1013 0.1013
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1135 1 1
Toxoplasma gondii cathepsin CPC1 0.0209 0.1013 0.1013
Brugia malayi Papain family cysteine protease containing protein 0.0585 0.4656 0.4656
Schistosoma mansoni cathepsin F (C01 family) 0.076 0.6357 0.6357
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0209 0.1013 0.1013
Schistosoma mansoni cathepsin F (C01 family) 0.1135 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1135 1 1
Loa Loa (eye worm) cathepsin B 0.0209 0.1013 0.1013
Giardia lamblia Cathepsin B precursor 0.0209 0.1013 0.5
Plasmodium falciparum cysteine proteinase falcipain 3 0.1135 1 1
Schistosoma mansoni twik family of potassium channels-related 0.0129 0.023 0.023
Trypanosoma cruzi cruzipain precursor, putative 0.1135 1 1
Echinococcus multilocularis cathepsin L 0.0209 0.1013 0.1013
Leishmania major cathepsin L-like protease 0.1135 1 1
Plasmodium vivax unspecified product 0.0585 0.4656 0.4054
Echinococcus multilocularis cathepsin L cysteine protease 0.1135 1 1
Loa Loa (eye worm) hypothetical protein 0.0209 0.1013 0.1013
Giardia lamblia Cathepsin L-like protease 0.0209 0.1013 0.5
Loa Loa (eye worm) cysteine protease 0.1135 1 1
Entamoeba histolytica cysteine proteinase, putative 0.076 0.6357 0.5946
Entamoeba histolytica cysteine proteinase 2 0.0585 0.4656 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.1135 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0209 0.1013 0.1013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0585 0.4656 0.4054
Loa Loa (eye worm) hypothetical protein 0.1135 1 1
Loa Loa (eye worm) hypothetical protein 0.0209 0.1013 0.1013
Giardia lamblia Cathepsin L precursor 0.0209 0.1013 0.5
Onchocerca volvulus 0.1135 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.1135 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1135 1 1
Trypanosoma cruzi cysteine protease, putative 0.0585 0.4656 0.4656
Leishmania major cathepsin L-like protease 0.1135 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1135 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1135 1 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.0209 0.1013 0.1013
Brugia malayi cathepsin L precursor 0.0209 0.1013 0.1013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0585 0.4656 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.1135 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.076 0.6357 0.6357
Plasmodium falciparum cysteine proteinase falcipain 2a 0.1135 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1135 1 1
Giardia lamblia Cathepsin B precursor 0.0209 0.1013 0.5
Plasmodium falciparum cysteine proteinase falcipain 1 0.0585 0.4656 0.4054
Echinococcus granulosus cathepsin b 0.0209 0.1013 0.1013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1135 1 1
Giardia lamblia Hypothetical protein 0.0209 0.1013 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.1135 1 1
Plasmodium vivax unspecified product 0.0375 0.2623 0.1791
Echinococcus granulosus Two pore potassium channel protein sup 9 0.0129 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0121 0.0155 0.0155
Entamoeba histolytica cysteine protease, putative 0.0585 0.4656 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0585 0.4656 0.4656
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1135 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0585 0.4656 0.4054
Echinococcus granulosus cathepsin L 0.0585 0.4656 0.4656
Onchocerca volvulus 0.1135 1 1
Giardia lamblia Cysteine protease 0.0209 0.1013 0.5
Giardia lamblia Hypothetical protein 0.0209 0.1013 0.5
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0209 0.1013 0.5
Loa Loa (eye worm) hypothetical protein 0.076 0.6357 0.6357
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1135 1 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0209 0.1013 0.1013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1135 1 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0209 0.1013 0.1013
Entamoeba histolytica cysteine protease, putative 0.0585 0.4656 0.4054
Trypanosoma cruzi major cysteine proteinase, putative 0.0209 0.1013 0.1013

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 220 nM Evaluated in vitro for inhibitory activity against Adenosine kinase (AK) ChEMBL. 12166937
IC50 (binding) = 220 nM Evaluated in vitro for inhibitory activity against Adenosine kinase (AK) ChEMBL. 12166937
IC50 (functional) = 345 nM Evaluated in vitro for the inhibition of Adenosine (ADO) phosphorylation in intact cells. ChEMBL. 12166937
IC50 (functional) = 345 nM Evaluated in vitro for the inhibition of Adenosine (ADO) phosphorylation in intact cells. ChEMBL. 12166937

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12166937

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.

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