Detailed information for compound 1789278

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.824 | Formula: C15H16ClN3O2S
  • H donors: 0 H acceptors: 1 LogP: 1.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCOCC1)Cn1c(=N)scc1c1ccc(cc1)Cl
  • InChi: 1S/C15H16ClN3O2S/c16-12-3-1-11(2-4-12)13-10-22-15(17)19(13)9-14(20)18-5-7-21-8-6-18/h1-4,10,17H,5-9H2
  • InChiKey: IHOGKRIRHORAHV-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 mitogen-activated protein kinase 1 Starlite/ChEMBL References
Homo sapiens leukotriene A4 hydrolase Starlite/ChEMBL References
Homo sapiens epidermal growth factor receptor Starlite/ChEMBL References
Homo sapiens SRC proto-oncogene, non-receptor tyrosine kinase Starlite/ChEMBL References
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL References
Homo sapiens thymidylate synthetase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis Get druggable targets OG5_128597 All targets in OG5_128597
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative 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
Leishmania major dihydrofolate reductase-thymidylate synthase 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
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Brugia malayi Furin-like cysteine rich region family protein Get druggable targets OG5_128597 All targets in OG5_128597
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 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
Echinococcus multilocularis tyrosine protein kinase Fgr 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 granulosus tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus melanoma receptor tyrosine protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Leishmania donovani dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis leukotriene A 4 hydrolase Get druggable targets OG5_129538 All targets in OG5_129538
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 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
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Theileria parva dihydrofolate reductase-thymidylate synthase, putative 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
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Cryptosporidium hominis chain A, crystal structure of Dhfr Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus leukotriene A 4 hydrolase Get druggable targets OG5_129538 All targets in OG5_129538
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni tyrosine kinase 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 parvum MAPK, 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
Trichomonas vaginalis CMGC family protein kinase 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
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 Lyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-4 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) Get druggable targets OG5_129538 All targets in OG5_129538
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania infantum 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
Loa Loa (eye worm) TK/EGFR protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-2 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum ko:K08892 fyn-related kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FGR, putative Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense 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
Loa Loa (eye worm) SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum ko:K00560 thymidylate synthase [EC2.1.1.45], putative 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 tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
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:K01254 leukotriene-A4 hydrolase [EC3.3.2.6], putative Get druggable targets OG5_129538 All targets in OG5_129538
Echinococcus granulosus tyrosine protein kinase Blk 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
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Loa Loa (eye worm) thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) 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
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Brugia malayi MAP kinase sur-1 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 granulosus 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
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Tyrosine-protein kinase transforming protein erbB, putative Get druggable targets OG5_128597 All targets in OG5_128597
Brugia malayi protein-tyrosine kinase 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
Mycobacterium ulcerans 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
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase 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
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis 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
Brugia malayi thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma brucei gambiense mitogen-activated protein 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 japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Trypanosoma cruzi mitogen activated protein kinase 4, 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
Onchocerca volvulus Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis 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
Schistosoma japonicum ko:K05703 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
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR000494,EGF receptor, L domain,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Babesia bovis dihydrofolate reductase/thymidilate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania infantum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
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 Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Giardia lamblia Kinase, CMGC 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
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Loa Loa (eye worm) leukotriene A4 hydrolase Get druggable targets OG5_129538 All targets in OG5_129538
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum ko:K05085 receptor tyrosine-protein kinase erbB-4, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus multilocularis tyrosine protein kinase HCK 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus tyrosine protein kinase Src42A 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
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597

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 %
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 leukotriene A4 hydrolase 611 aa 508 aa 22.8 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus aminopeptidase N 0.0015 0.0016 0.0019
Loa Loa (eye worm) SRC-1 0.0055 0.0461 0.0809
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0149 0.0668
Echinococcus granulosus tyrosine protein kinase Srms 0.0015 0.0023 0.003
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.01 0.0962 0.1686
Schistosoma mansoni tyrosine kinase 0.019 0.1953 0.3336
Brugia malayi hypothetical protein 0.0015 0.0023 0.0012
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.002 0.0072 0.0096
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0533 0.0934
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0533 0.2598
Schistosoma mansoni serine/threonine protein kinase 0.054 0.5821 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0016 0.0019
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0533 0.2598
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0149 0.0668
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0051 0.0412 0.0407
Loa Loa (eye worm) hypothetical protein 0.0039 0.0279 0.0489
Loa Loa (eye worm) TK protein kinase 0.0051 0.0412 0.0723
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0149 0.0448
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0279 0.2936 0.5145
Schistosoma mansoni hypothetical protein 0.0055 0.0456 0.0758
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0074 0.0291
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0023 0.004
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0023 0.004
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0149 0.0668
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0023 0.004
Echinococcus granulosus tyrosine protein kinase shark 0.0015 0.0023 0.003
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0016 0.0011
Brugia malayi hypothetical protein 0.0128 0.127 0.2204
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.0962 0.163
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0015 0.0016 0.0011
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0456 0.0773
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0149 0.0668
Echinococcus multilocularis GPCR, family 2 0.0018 0.005 0.0044
Loa Loa (eye worm) hypothetical protein 0.002 0.0074 0.013
Onchocerca volvulus 0.0015 0.0023 0.0033
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0149 0.3843
Echinococcus granulosus intermediate filament protein 0.0029 0.017 0.0288
Brugia malayi Tyrosine-protein kinase abl-1 0.002 0.0072 0.0098
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0055 0.0461 0.0456
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0149 0.0233
Loa Loa (eye worm) hypothetical protein 0.0028 0.0164 0.0288
Schistosoma mansoni tyrosine kinase 0.002 0.0072 0.0096
Echinococcus multilocularis epidermal growth factor receptor 0.0107 0.1032 0.1026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.0962 0.0957
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0074 0.0062
Echinococcus multilocularis musashi 0.0029 0.017 0.0164
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0533 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0015 0.0022 0.0009
Loa Loa (eye worm) hypothetical protein 0.0027 0.0149 0.0262
Loa Loa (eye worm) hypothetical protein 0.0529 0.57 0.9989
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0055 0.0461 0.0456
Brugia malayi SH2 domain containing protein 0.0015 0.0023 0.0012
Schistosoma mansoni tyrosine kinase 0.0096 0.0911 0.1542
Brugia malayi SH2 domain containing protein 0.0015 0.0023 0.0012
Brugia malayi Protein kinase domain containing protein 0.0529 0.5707 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0015 0.0016 0.0029
Loa Loa (eye worm) hypothetical protein 0.0029 0.017 0.0298
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0533 0.0528
Echinococcus granulosus tyrosine kinase 0.0015 0.0023 0.003
Brugia malayi Protein kinase domain containing protein 0.0015 0.0023 0.0012
Loa Loa (eye worm) TK/EGFR protein kinase 0.019 0.1953 0.3422
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0195 0.2005 1
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0023 0.004
Onchocerca volvulus 0.0015 0.0023 0.0033
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.0962 0.1678
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0533 0.2598
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.0962 0.163
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0093 0.0876 0.4325
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.0292 0.0502
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0015 0.0023 0.0017
Echinococcus multilocularis 0.0056 0.0469 0.0463
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0055 0.0461 0.0456
Echinococcus multilocularis lamin dm0 0.0029 0.017 0.0164
Echinococcus multilocularis tyrosine protein kinase HCK 0.0046 0.0362 0.0357
Loa Loa (eye worm) hypothetical protein 0.0056 0.0476 0.0835
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0149 0.3843
Schistosoma mansoni hypothetical protein 0.0018 0.005 0.0058
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0533 0.6007
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0023 0.004
Echinococcus multilocularis lamin 0.0029 0.017 0.0164
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.017 0.0298
Loa Loa (eye worm) hypothetical protein 0.0015 0.0016 0.0029
Loa Loa (eye worm) aminopeptidase N 0.0015 0.0016 0.0029
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0055 0.0461 0.0799
Echinococcus multilocularis insulin receptor 0.0067 0.0598 0.0592
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0016 0.0011
Brugia malayi Furin-like cysteine rich region family protein 0.019 0.1953 0.3403
Onchocerca volvulus 0.0027 0.0149 0.0668
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0533 0.6007
Echinococcus multilocularis tyrosine protein kinase Srms 0.0051 0.0412 0.0407
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0055 0.0461 0.0456
Onchocerca volvulus 0.0029 0.017 0.0773
Loa Loa (eye worm) hypothetical protein 0.002 0.0074 0.013
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.005 0.0077
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.01 0.0962 0.1663
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0149 0.0668
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0074 0.0291
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0533 0.2598
Schistosoma mansoni tyrosine kinase 0.0107 0.1032 0.1749
Loa Loa (eye worm) hypothetical protein 0.002 0.0074 0.013
Loa Loa (eye worm) hypothetical protein 0.0015 0.0016 0.0029
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0016 0.0019
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0055 0.0461 0.0456
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0074 0.0291
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0016 0.0019
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.002 0.0072 0.0066
Echinococcus granulosus lamin dm0 0.0029 0.017 0.0288
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0016 0.0019
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0279 0.0462
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.005 0.0044
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0195 0.2005 1
Echinococcus granulosus insulin receptor 0.0067 0.0598 0.1039
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.0292 0.0287
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0051 0.0412 0.0713
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0195 0.2005 1
Mycobacterium ulcerans hypothetical protein 0.0027 0.0149 0.0668
Loa Loa (eye worm) TK/ABL protein kinase 0.0015 0.0023 0.004
Schistosoma mansoni tyrosine kinase 0.0015 0.0023 0.0011
Loa Loa (eye worm) TK/INSR protein kinase 0.0067 0.0598 0.1048
Mycobacterium tuberculosis Hypothetical protein 0.0093 0.0876 0.4192
Schistosoma mansoni tyrosine kinase 0.0055 0.0461 0.0767
Onchocerca volvulus 0.0015 0.0023 0.0033
Schistosoma mansoni hypothetical protein 0.0039 0.0279 0.0452
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.0962 0.0957
Loa Loa (eye worm) hypothetical protein 0.0027 0.0149 0.0262
Echinococcus granulosus tyrosine protein kinase HCK 0.0046 0.0362 0.0625
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0149 0.3843
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.005 0.0077
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0023 0.004
Brugia malayi Protein kinase domain containing protein 0.0015 0.0023 0.0012
Schistosoma mansoni hypothetical protein 0.0018 0.005 0.0058
Echinococcus granulosus lamin 0.0029 0.017 0.0288
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0529 0.5707 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0149 0.0262
Schistosoma mansoni hypothetical protein 0.0018 0.005 0.0058
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.0962 0.163
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0067 0.0598 0.0592
Brugia malayi Latrophilin receptor protein 2 0.0018 0.005 0.0059
Echinococcus multilocularis tyrosine protein kinase Blk 0.0051 0.0412 0.0407
Schistosoma mansoni tyrosine kinase 0.0096 0.0911 0.1542
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0533 0.2598
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0055 0.0461 0.0456
Echinococcus multilocularis aminopeptidase N 0.0015 0.0016 0.0011
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0023 0.004
Mycobacterium ulcerans thymidylate synthase 0.0195 0.2005 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0533 0.6007
Loa Loa (eye worm) TATA binding protein associated factor 0.0015 0.0016 0.0029
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.0962 0.1678
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0195 0.2005 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.005 0.0044
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0195 0.2005 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0055 0.0461 0.0799
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0149 0.0668
Loa Loa (eye worm) hypothetical protein 0.0015 0.0023 0.004
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0533 0.2598
Schistosoma mansoni tyrosine kinase 0.002 0.0072 0.0096
Schistosoma mansoni tyrosine kinase 0.0067 0.0598 0.1002
Schistosoma mansoni tyrosine kinase 0.0096 0.0911 0.1542
Schistosoma mansoni survival motor neuron protein 0.0055 0.0456 0.0758
Echinococcus granulosus GPCR family 2 0.0018 0.005 0.0077
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0149 0.0233
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0195 0.2005 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0016 0.0029
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0279 0.2936 0.2932
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0195 0.2005 1
Echinococcus granulosus epidermal growth factor receptor 0.0107 0.1032 0.1799
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0023 0.004
Loa Loa (eye worm) thymidylate synthase 0.0195 0.2005 0.3513
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0015 0.0023 0.003
Echinococcus granulosus survival motor neuron protein 1 0.0268 0.2812 0.4922
Brugia malayi hypothetical protein 0.0093 0.0876 0.1511
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0533 0.2598
Echinococcus granulosus epidermal growth factor receptor 0.019 0.1953 0.3416
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0149 0.0668
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0533 0.6007
Loa Loa (eye worm) hypothetical protein 0.0529 0.57 0.9989
Loa Loa (eye worm) hypothetical protein 0.0018 0.005 0.0088
Schistosoma mansoni lamin 0.0029 0.017 0.0265
Echinococcus multilocularis epidermal growth factor receptor 0.019 0.1953 0.1948
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0015 0.0023 0.0017
Brugia malayi Protein kinase domain containing protein 0.0015 0.0023 0.0012
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0055 0.0461 0.0456
Schistosoma mansoni lamin 0.0029 0.017 0.0265
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0149 0.0233
Echinococcus granulosus tyrosine protein kinase ABL1 0.0015 0.0023 0.003
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0533 0.0528
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0533 0.2598
Loa Loa (eye worm) TKL/MLK/LZK protein kinase 0.0529 0.5707 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0056 0.0468 0.081
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0476 0.0808
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.017 0.027
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0023 0.004
Echinococcus granulosus leukotriene A 4 hydrolase 0.0279 0.2936 0.514
Brugia malayi Protein kinase domain containing protein 0.0067 0.0598 0.1022
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0149 0.0668
Brugia malayi SRC-1 0.0055 0.0461 0.0782
Echinococcus multilocularis tyrosine kinase 0.0015 0.0023 0.0017
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0476 0.0835
Loa Loa (eye worm) hypothetical protein 0.002 0.0074 0.013
Brugia malayi hypothetical protein 0.0268 0.2812 0.4912
Loa Loa (eye worm) TK protein kinase 0.0046 0.0362 0.0635
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0055 0.0461 0.0456
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0067 0.0598 0.1039
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0023 0.004
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0016 0.0019
Onchocerca volvulus 0.0195 0.2005 1
Loa Loa (eye worm) intermediate filament protein 0.0029 0.017 0.0298
Onchocerca volvulus 0.0029 0.017 0.0773
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0015 0.0023 0.0192
Onchocerca volvulus 0.0015 0.0023 0.0033
Echinococcus granulosus thymidylate synthase 0.0195 0.2005 0.3507
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0533 0.0925
Echinococcus granulosus tyrosine protein kinase Src64B 0.0055 0.0461 0.0799
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0195 0.2005 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0006 0.001
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.005 0.0088
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0195 0.2005 0.3426
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0016 0.0011
Schistosoma mansoni tyrosine kinase 0.0055 0.0461 0.0767
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0055 0.0461 0.0799
Brugia malayi protein-tyrosine kinase 0.0051 0.0412 0.0696
Brugia malayi intermediate filament protein 0.0029 0.017 0.027
Onchocerca volvulus 0.0055 0.0456 0.2212
Echinococcus granulosus tyrosine protein kinase Fyn 0.0055 0.0461 0.0799
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0074 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0023 0.004
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0149 0.0448
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.005 0.0059
Loa Loa (eye worm) hypothetical protein 0.0268 0.2812 0.4927
Echinococcus granulosus tyrosine protein kinase Fyn 0.0055 0.0461 0.0799
Echinococcus multilocularis tyrosine protein kinase Abl 0.002 0.0072 0.0066
Onchocerca volvulus 0.0015 0.0023 0.0033
Echinococcus granulosus tyrosine protein kinase Src42A 0.0055 0.0461 0.0799
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0016 0.0011
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0055 0.0461 0.0456
Echinococcus granulosus tyrosine kinase 0.0051 0.0412 0.0713
Echinococcus granulosus tyrosine protein kinase Blk 0.0051 0.0412 0.0713
Schistosoma mansoni tyrosine kinase 0.0107 0.1032 0.1749
Brugia malayi MAP kinase sur-1 0.0062 0.0533 0.0908
Entamoeba histolytica protein kinase, putative 0.0046 0.0362 1
Echinococcus multilocularis c src tyrosine kinase 0.002 0.0072 0.0066
Brugia malayi thymidylate synthase 0.0195 0.2005 0.3494
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0015 0.0016 0.0019
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0279 0.2936 0.503
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0476 0.0808
Schistosoma mansoni intermediate filament proteins 0.0029 0.017 0.0265
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0533 0.0925
Trichomonas vaginalis conserved hypothetical protein 0.0093 0.0876 1
Echinococcus multilocularis survival motor neuron protein 1 0.0268 0.2812 0.2808
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0529 0.5707 0.5704
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0015 0.0016 0.0011
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0107 0.1032 0.1799
Brugia malayi Protein kinase domain containing protein 0.0015 0.0023 0.0012
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0149 0.0668
Echinococcus granulosus tyrosine protein kinase Btk29A 0.002 0.0072 0.0116
Loa Loa (eye worm) hypothetical protein 0.002 0.0074 0.013
Schistosoma mansoni tyrosine kinase 0.0067 0.0598 0.1002
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0149 0.0668
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0023 0.0011
Trypanosoma brucei protein kinase, putative 0.0062 0.0533 0.2598
Echinococcus granulosus c src tyrosine kinase 0.002 0.0072 0.0116
Onchocerca volvulus 0.0015 0.0023 0.0033
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0533 0.089
Echinococcus multilocularis thymidylate synthase 0.0195 0.2005 0.2
Schistosoma mansoni hypothetical protein 0.0018 0.005 0.0058
Brugia malayi Protein kinase domain containing protein 0.0015 0.0023 0.0012
Schistosoma mansoni tyrosine kinase 0.0015 0.0023 0.0011
Echinococcus multilocularis tyrosine protein kinase shark 0.0015 0.0023 0.0017

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 95.47 % 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) = 1.06 uM Inhibition of human leukotriene A-4 hydrolase ChEMBL. 24125851
Ki (binding) = 3.73 uM Inhibition of human thymidylate synthase ChEMBL. 24125851
Ki (binding) = 4.13 uM Inhibition of human vitamin D3 receptor ChEMBL. 24125851
Ki (binding) = 6.64 uM Inhibition of human EGFR ChEMBL. 24125851
Ki (binding) = 9.18 uM Inhibition of human MAPK1 ChEMBL. 24125851
Ki (binding) = 16.69 uM Inhibition of human SRC ChEMBL. 24125851
Ki (binding) = 44.9 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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