Detailed information for compound 1788916

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 317.406 | Formula: C16H19N3O2S
  • H donors: 0 H acceptors: 1 LogP: 1.69 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCOCC1)Cn1c(=N)scc1c1ccc(cc1)C
  • InChi: 1S/C16H19N3O2S/c1-12-2-4-13(5-3-12)14-11-22-16(17)19(14)10-15(20)18-6-8-21-9-7-18/h2-5,11,17H,6-10H2,1H3
  • InChiKey: MXCHJXBXBFDTNS-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens leukotriene A4 hydrolase Starlite/ChEMBL References
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL References
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL References
Homo sapiens thymidylate synthetase Starlite/ChEMBL References
Homo sapiens SRC proto-oncogene, non-receptor tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Cryptosporidium hominis chain A, crystal structure of Dhfr Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K01254 leukotriene-A4 hydrolase [EC3.3.2.6], putative Get druggable targets OG5_129538 All targets in OG5_129538
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus multilocularis tyrosine protein kinase Srms Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K08892 fyn-related kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase Yrk, putative Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Plasmodium yoelii thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) leukotriene A4 hydrolase Get druggable targets OG5_129538 All targets in OG5_129538
Echinococcus granulosus tyrosine protein kinase Lyn Get druggable targets OG5_127750 All targets in OG5_127750
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus leukotriene A 4 hydrolase Get druggable targets OG5_129538 All targets in OG5_129538
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Candida albicans leukotriene A4 hydrolase/leucyl aminopeptidase Get druggable targets OG5_129538 All targets in OG5_129538
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi protein-tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FGR, putative Get druggable targets OG5_127750 All targets in OG5_127750
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk Get druggable targets OG5_127750 All targets in OG5_127750
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans leukotriene A4 hydrolase/leucyl aminopeptidase Get druggable targets OG5_129538 All targets in OG5_129538
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K00560 thymidylate synthase [EC2.1.1.45], putative Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis leukotriene A 4 hydrolase Get druggable targets OG5_129538 All targets in OG5_129538
Mycobacterium ulcerans thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Onchocerca volvulus Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) Get druggable targets OG5_129538 All targets in OG5_129538
Leishmania donovani dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Leishmania major dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Brugia malayi SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Babesia bovis dihydrofolate reductase/thymidilate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 leukotriene A4 hydrolase 611 aa 508 aa 22.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0234 0.0338
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0009 0.0116 0.0116
Loa Loa (eye worm) hypothetical protein 0.0006 0.0023 0.0023
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0234 0.0234
Entamoeba histolytica protein kinase, putative 0.0036 0.1123 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0329 0.0329
Onchocerca volvulus 0.0015 0.0329 0.0476
Loa Loa (eye worm) TK protein kinase 0.0036 0.1123 0.1123
Brugia malayi hypothetical protein 0.0015 0.0329 0.0476
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0023 0.0023
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0234 0.0234
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0234 0.0234
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0234 0.0234
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.204 0.2598
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0015 0.0329 0.0329
Schistosoma mansoni adapter molecule crk 0.0009 0.0116 0.0116
Echinococcus multilocularis tyrosine protein kinase HCK 0.0036 0.1123 0.1123
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0234 0.0234
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0329 0.0329
Echinococcus granulosus c src tyrosine kinase 0.001 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0006 0.0023 0.0023
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0195 0.6915 0.5
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0045 0.1452 0.1452
Loa Loa (eye worm) aminopeptidase N 0.0015 0.0329 0.0329
Loa Loa (eye worm) hypothetical protein 0.0012 0.0234 0.0234
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0015 0.0329 0.0329
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0234 0.0338
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0234 0.0234
Schistosoma mansoni aminopeptidase A (M01 family) 0.0015 0.0329 0.0329
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.0162 0.0162
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0234 0.0234
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0195 0.6915 1
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0023 0.0033
Brugia malayi ecdysteroid receptor 0.0012 0.0234 0.0338
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.204 0.204
Brugia malayi thymidylate synthase 0.0195 0.6915 1
Brugia malayi hypothetical protein 0.0093 0.3178 0.4596
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0234 0.0234
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.204 0.204
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.204 0.2598
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0234 0.0338
Brugia malayi Peptidase family M1 containing protein 0.0015 0.0329 0.0476
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.1243 0.1243
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0234 0.0234
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0234 0.0338
Brugia malayi TATA binding protein associated factor 0.0015 0.0329 0.0476
Echinococcus granulosus aminopeptidase N 0.0015 0.0329 0.0329
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0329 0.0329
Brugia malayi hypothetical protein 0.0006 0.0023 0.0033
Onchocerca volvulus 0.0012 0.0234 0.0338
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.204 0.204
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.204 0.5
Brugia malayi nuclear receptor RXR 0.0006 0.0023 0.0033
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0093 0.3178 0.4325
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0015 0.0329 0.0329
Loa Loa (eye worm) hypothetical protein 0.0012 0.0234 0.0234
Brugia malayi nuclear hormone receptor 0.0012 0.0234 0.0338
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.0162 0.0162
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0045 0.1452 0.1452
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0195 0.6915 1
Echinococcus multilocularis c src tyrosine kinase 0.001 0.0162 0.0162
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0045 0.1452 0.1452
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0234 0.0234
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0009 0.0116 0.0116
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0023 0.0023
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0015 0.0329 0.0329
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0329 0.0329
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0195 0.6915 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0234 0.0234
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0234 0.0234
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0234 0.0338
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.1452 0.1452
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0041 0.129 0.129
Entamoeba histolytica aminopeptidase, putative 0.0015 0.0329 0.2933
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.204 0.2598
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0234 0.0338
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0023 0.0023
Echinococcus granulosus tyrosine protein kinase Lyn 0.0046 0.1472 0.1472
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0234 0.0338
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0329 0.0329
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0116 0.0167
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0234 0.0338
Echinococcus granulosus tyrosine protein kinase Src42A 0.0045 0.1452 0.1452
Echinococcus multilocularis thymidylate synthase 0.0195 0.6915 0.6915
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.204 0.6007
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0234 0.0338
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0045 0.1452 0.1452
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0234 0.0234
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0234 0.0338
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0195 0.6915 1
Brugia malayi MAP kinase sur-1 0.0062 0.204 0.2951
Brugia malayi steroid hormone receptor 0.0012 0.0234 0.0338
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.0116 0.0116
Trichomonas vaginalis conserved hypothetical protein 0.0093 0.3178 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.204 0.204
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0234 0.0234
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.204 0.6007
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.204 0.2598
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0329 0.0329
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.0162 0.0162
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0234 0.0338
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0234 0.0338
Loa Loa (eye worm) SRC-1 0.0045 0.1452 0.1452
Loa Loa (eye worm) hypothetical protein 0.0012 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0006 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0006 0.0023 0.0023
Echinococcus granulosus thymidylate synthase 0.0195 0.6915 0.6915
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0234 0.0234
Echinococcus granulosus growth factor receptor bound protein 2 0.0009 0.0116 0.0116
Trypanosoma brucei protein kinase, putative 0.0062 0.204 0.2598
Schistosoma mansoni tyrosine kinase 0.0045 0.1452 0.1452
Schistosoma mansoni tyrosine kinase 0.0045 0.1452 0.1452
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0234 0.0338
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0234 0.0234
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0329 0.0329
Brugia malayi hypothetical protein 0.0006 0.0023 0.0033
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0045 0.1452 0.1452
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0045 0.1452 0.1452
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0234 0.0234
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0234 0.0234
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0234 0.0234
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.204 0.2598
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0234 0.0234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0234 0.0234
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0234 0.0338
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.204 0.6007
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.1243 0.1243
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0329 0.0329
Brugia malayi Tyrosine-protein kinase abl-1 0.001 0.0162 0.0235
Brugia malayi Peptidase family M1 containing protein 0.0015 0.0329 0.0476
Schistosoma mansoni nck2/grb4 0.0009 0.0116 0.0116
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.204 0.6007
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.204 0.2598
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0234 0.0234
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0009 0.0116 0.0116
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0023 0.0023
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0329 0.0329
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.204 0.204
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.1452 0.1452
Schistosoma mansoni tyrosine kinase 0.001 0.0162 0.0162
Loa Loa (eye worm) peptidase family M1 containing protein 0.0015 0.0329 0.0329
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0234 0.0234
Schistosoma mansoni tyrosine kinase 0.001 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0006 0.0023 0.0023
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.1452 0.1452
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0234 0.0234
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0015 0.0329 0.0329
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0234 0.0234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0234 0.0234
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0234 0.0234
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0015 0.0329 0.0329
Loa Loa (eye worm) thymidylate synthase 0.0195 0.6915 0.6915
Echinococcus granulosus tyrosine kinase 0.0041 0.129 0.129
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.204 0.2598
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.129 0.129
Echinococcus granulosus tyrosine protein kinase Blk 0.0041 0.129 0.129
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0234 0.0234
Brugia malayi hypothetical protein 0.0128 0.4482 0.6482
Onchocerca volvulus 0.0015 0.0329 0.0476
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0116 0.0167
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0279 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0234 0.0338
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0234 0.0234
Echinococcus granulosus tyrosine protein kinase Src64B 0.0045 0.1452 0.1452
Loa Loa (eye worm) hypothetical protein 0.0012 0.0234 0.0234
Schistosoma mansoni coup transcription factor 0.0012 0.0234 0.0234
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.0162 0.0162
Brugia malayi protein-tyrosine kinase 0.0041 0.129 0.1865
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0234 0.0338
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0234 0.0338
Brugia malayi Sex muscle abnormal protein 5 0.0009 0.0116 0.0167
Loa Loa (eye worm) hypothetical protein 0.0012 0.0234 0.0234
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.1452 0.1452
Brugia malayi hypothetical protein 0.0015 0.0329 0.0476
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.1452 0.1452
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.204 0.2598
Loa Loa (eye worm) TK protein kinase 0.0041 0.129 0.129
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0023 0.0033
Echinococcus multilocularis aminopeptidase N 0.0015 0.0329 0.0329
Loa Loa (eye worm) TATA binding protein associated factor 0.0015 0.0329 0.0329
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0279 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0234 0.0338
Brugia malayi Peptidase family M1 containing protein 0.0015 0.0329 0.0476
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0045 0.1452 0.1452
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0045 0.1452 0.1452
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0234 0.0338
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.1452 0.1452
Mycobacterium ulcerans thymidylate synthase 0.0195 0.6915 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0012 0.0234 0.0234
Brugia malayi SRC-1 0.0045 0.1452 0.21
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0234 0.0234
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0195 0.6915 0.6915
Echinococcus multilocularis tyrosine protein kinase Srms 0.0041 0.129 0.129
Echinococcus multilocularis growth factor receptor bound protein 2 0.0009 0.0116 0.0116
Loa Loa (eye worm) hypothetical protein 0.0012 0.0234 0.0234
Brugia malayi nuclear receptor NHR-88 0.0012 0.0234 0.0338
Onchocerca volvulus 0.0015 0.0329 0.0476
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0234 0.0234
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.204 0.204
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0023 0.0023
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0279 1 1
Echinococcus granulosus tyrosine protein kinase HCK 0.0036 0.1123 0.1123
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0195 0.6915 1
Echinococcus granulosus NCK adaptor protein 0.0009 0.0116 0.0116
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0329 0.0329
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0234 0.0234
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0234 0.0234
Echinococcus multilocularis tyrosine protein kinase Blk 0.0041 0.129 0.129
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0234 0.0234
Echinococcus multilocularis NCK adaptor protein 0.0009 0.0116 0.0116
Loa Loa (eye worm) hypothetical protein 0.0009 0.0116 0.0116
Onchocerca volvulus 0.0195 0.6915 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0329 0.0329
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0234 0.0234
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0329 0.0329
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0195 0.6915 1
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.0116 0.0116
Loa Loa (eye worm) hypothetical protein 0.0012 0.0234 0.0234
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0195 0.6915 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 106.08 % Growth inhibition of human MDA-MB-468 cells assessed as cell growth at 10'-5 M after 48 hrs by sulforhodamine B assay relative to control ChEMBL. 24125851
Ki (binding) = 3.56 uM Inhibition of human leukotriene A-4 hydrolase ChEMBL. 24125851
Ki (binding) = 4.06 uM Inhibition of human thymidylate synthase ChEMBL. 24125851
Ki (binding) = 9.78 uM Inhibition of human MAPK1 ChEMBL. 24125851
Ki (binding) = 13.27 uM Inhibition of human SRC ChEMBL. 24125851
Ki (binding) = 13.68 uM Inhibition of human vitamin D3 receptor ChEMBL. 24125851
Ki (binding) = 22.94 uM Inhibition of human EGFR ChEMBL. 24125851
Ki (binding) = 51.24 uM Inhibition of human cathepsin K ChEMBL. 24125851

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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