Detailed information for compound 280435

Basic information

Technical information
  • TDR Targets ID: 280435
  • Name: methyl 2-(6-methoxy-6-nonyldioxan-3-yl)acetat e
  • MW: 316.433 | Formula: C17H32O5
  • H donors: 0 H acceptors: 1 LogP: 4.84 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCC1(OC)CCC(OO1)CC(=O)OC
  • InChi: 1S/C17H32O5/c1-4-5-6-7-8-9-10-12-17(20-3)13-11-15(21-22-17)14-16(18)19-2/h15H,4-14H2,1-3H3
  • InChiKey: OFSOKSRWPVKODR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-(6-methoxy-6-nonyl-dioxan-3-yl)acetate
  • 2-(6-methoxy-6-nonyl-3-dioxanyl)acetic acid methyl ester
  • methyl 2-(6-methoxy-6-nonyl-1,2-dioxan-3-yl)ethanoate
  • 2-(6-methoxy-6-nonyl-dioxan-3-yl)acetic acid methyl ester

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0132863 0.132628 0.0798191
Onchocerca volvulus 0.0170883 0.208726 1
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0132863 0.132628 0.283363
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0132863 0.132628 0.186552
Brugia malayi Tensin 0.0132863 0.132628 0.186552
Echinococcus multilocularis NCK adaptor protein 0.0262427 0.391952 0.829226
Echinococcus granulosus p2X purinoceptor 4 0.0202015 0.271037 0.557877
Brugia malayi SH3 domain containing protein 0.0129565 0.126027 0.175376
Loa Loa (eye worm) thyroid receptor interactor 0.0129565 0.126027 0.175376
Loa Loa (eye worm) SRC-1 0.0300448 0.46805 0.754446
Schistosoma mansoni tyrosine kinase 0.0170883 0.208726 0.445949
Echinococcus multilocularis SHC transforming protein 3 0.0132863 0.132628 0.24727
Echinococcus multilocularis tensin 0.0132863 0.132628 0.24727
Echinococcus multilocularis tensin 0.0132863 0.132628 0.24727
Brugia malayi Myosin tail family protein 0.0129565 0.126027 0.175376
Echinococcus granulosus epidermal growth factor receptor 0.0105415 0.0776921 0.123987
Brugia malayi Variant SH3 domain containing protein 0.0129565 0.126027 0.175376
Brugia malayi hypothetical protein 0.0170883 0.208726 0.315392
Echinococcus multilocularis breast cancer anti estrogen resistance protein 0.0129565 0.126027 0.232457
Schistosoma mansoni eps8-related protein 0.0129565 0.126027 0.26926
Echinococcus granulosus fch and double sh3 domains protein 2 0.0129565 0.126027 0.232457
Schistosoma mansoni shc transforming protein 0.0132863 0.132628 0.283363
Echinococcus granulosus tyrosine protein kinase Src42A 0.0132863 0.132628 0.24727
Loa Loa (eye worm) TK/FER protein kinase 0.0170883 0.208726 0.315392
Schistosoma mansoni hypothetical protein 0.0129565 0.126027 0.26926
Brugia malayi SH2 domain containing protein 0.0170883 0.208726 0.315392
Echinococcus multilocularis tyrosine protein kinase Srms 0.0170883 0.208726 0.418044
Echinococcus multilocularis signal transduction protein lnk realted 0.0132863 0.132628 0.24727
Echinococcus multilocularis suppressor of cytokine signaling 6 0.0132863 0.132628 0.24727
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0170883 0.208726 0.418044
Brugia malayi Variant SH3 domain containing protein 0.0262427 0.391952 0.625606
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0105415 0.0776921 0.123987
Schistosoma mansoni P2X receptor subunit 0.0202015 0.271037 0.579076
Onchocerca volvulus 0.0132863 0.132628 0.0798191
Loa Loa (eye worm) protein-tyrosine kinase 0.0129565 0.126027 0.175376
Echinococcus granulosus breast cancer anti estrogen resistance protein 0.0129565 0.126027 0.232457
Loa Loa (eye worm) hypothetical protein 0.0129565 0.126027 0.175376
Brugia malayi Variant SH3 domain containing protein 0.0129565 0.126027 0.175376
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0300448 0.46805 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0300448 0.46805 1
Brugia malayi Fes/CIP4 homology domain containing protein 0.0129565 0.126027 0.175376
Brugia malayi Peripheral plasma membrane protein CASK 0.0129565 0.126027 0.175376
Loa Loa (eye worm) hypothetical protein 0.0262427 0.391952 0.625606
Loa Loa (eye worm) TK/FER protein kinase 0.0170883 0.208726 0.315392
Schistosoma mansoni development and differentiation-enhancing factor ddef 0.0129565 0.126027 0.26926
Echinococcus multilocularis SH2 motif 0.0132863 0.132628 0.24727
Brugia malayi Sex muscle abnormal protein 5 0.0262427 0.391952 0.625606
Loa Loa (eye worm) hypothetical protein 0.0132863 0.132628 0.186552
Loa Loa (eye worm) SH2 domain-containing protein 0.0132863 0.132628 0.186552
Echinococcus granulosus SHC transforming protein 3 0.0132863 0.132628 0.24727
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0132863 0.132628 0.24727
Echinococcus multilocularis 0.0132863 0.132628 0.24727
Brugia malayi Src substrate cortactin 0.0129565 0.126027 0.175376
Echinococcus multilocularis p2X purinoceptor 4 0.0202015 0.271037 0.557877
Echinococcus granulosus SH2 domain containing adapter protein F 0.0132863 0.132628 0.24727
Schistosoma mansoni P2X receptor subunit 0.0202015 0.271037 0.579076
Echinococcus granulosus suppressor of cytokine signaling 6 0.0132863 0.132628 0.24727
Brugia malayi hypothetical protein 0.0132863 0.132628 0.186552
Echinococcus granulosus tyrosine protein kinase Fyn 0.0300448 0.46805 1
Echinococcus granulosus tyrosine protein kinase Blk 0.0170883 0.208726 0.418044
Onchocerca volvulus Suppressor of cytokine signaling 7 homolog 0.0132863 0.132628 0.0798191
Loa Loa (eye worm) hypothetical protein 0.0132863 0.132628 0.186552
Schistosoma mansoni tyrosine kinase 0.0300448 0.46805 1
Echinococcus multilocularis Spectrin alpha actinin 0.0129565 0.126027 0.232457
Loa Loa (eye worm) hypothetical protein 0.0132863 0.132628 0.186552
Loa Loa (eye worm) hypothetical protein 0.0129565 0.126027 0.175376
Echinococcus granulosus epidermal growth factor receptor kinase 0.0129565 0.126027 0.232457
Loa Loa (eye worm) hypothetical protein 0.0132863 0.132628 0.186552
Onchocerca volvulus 0.0170883 0.208726 1
Schistosoma mansoni tensin 0.0132863 0.132628 0.283363
Echinococcus granulosus tensin C1 domain containing phosphatase 0.0132863 0.132628 0.24727
Brugia malayi tRNA modification GTPase TrmE family protein 0.0132863 0.132628 0.186552
Loa Loa (eye worm) TK/FER protein kinase 0.0170883 0.208726 0.315392
Schistosoma mansoni growth factor receptor-bound protein 0.0262427 0.391952 0.837414
Brugia malayi SH2 domain containing protein 0.0132863 0.132628 0.186552
Echinococcus granulosus endophilin A3 0.0129565 0.126027 0.232457
Trypanosoma cruzi hypothetical protein, conserved 0.0129565 0.126027 0.5
Loa Loa (eye worm) hypothetical protein 0.0129565 0.126027 0.175376
Loa Loa (eye worm) cytokine inducible SH2-containing protein 5 0.0132863 0.132628 0.186552
Echinococcus granulosus expressed conserved protein 0.0132863 0.132628 0.24727
Echinococcus multilocularis epidermal growth factor receptor kinase 0.0129565 0.126027 0.232457
Schistosoma mansoni dreadlocks/dock 0.0129565 0.126027 0.26926
Loa Loa (eye worm) STAT protein 0.0132863 0.132628 0.186552
Brugia malayi Variant SH3 domain containing protein 0.0129565 0.126027 0.175376
Schistosoma mansoni tyrosine kinase 0.00673947 0.00159385 0.0034053
Echinococcus multilocularis nostrin 0.0129565 0.126027 0.232457
Echinococcus granulosus hematopoietic lineage cell specific protein 0.0129565 0.126027 0.232457
Loa Loa (eye worm) hypothetical protein 0.0129565 0.126027 0.175376
Brugia malayi Tyrosine-protein kinase abl-1 0.0300448 0.46805 0.754446
Loa Loa (eye worm) TK/EGFR protein kinase 0.0164074 0.195097 0.292316
Schistosoma mansoni hypothetical protein 0.0132863 0.132628 0.283363
Loa Loa (eye worm) SH2 domain-containing protein 0.0132863 0.132628 0.186552
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0132863 0.132628 0.24727
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0132863 0.132628 0.186552
Onchocerca volvulus 0.0132863 0.132628 0.0798191
Loa Loa (eye worm) hypothetical protein 0.0132863 0.132628 0.186552
Loa Loa (eye worm) TK/FER protein kinase 0.0170883 0.208726 0.315392
Schistosoma mansoni cell polarity protein 0.0129565 0.126027 0.26926
Schistosoma mansoni tyrosine kinase 0.00778113 0.0224427 0.0479494
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0300448 0.46805 1
Trypanosoma cruzi hypothetical protein, conserved 0.0129565 0.126027 0.5
Schistosoma mansoni sh3-containing grb2-like protein 1 (endophilin II) 0.0129565 0.126027 0.26926
Brugia malayi SH2 domain containing protein 0.0132863 0.132628 0.186552
Loa Loa (eye worm) TK/FER protein kinase 0.0170883 0.208726 0.315392
Echinococcus granulosus expressed protein 0.0129565 0.126027 0.232457
Echinococcus granulosus tyrosine kinase 0.0170883 0.208726 0.418044
Trichomonas vaginalis conserved hypothetical protein 0.0566223 1 1
Brugia malayi Variant SH3 domain containing protein 0.0129565 0.126027 0.175376
Loa Loa (eye worm) TK/FER protein kinase 0.0170883 0.208726 0.315392
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0132863 0.132628 0.186552
Schistosoma mansoni signal transducing adapter molecule (stam) 0.0129565 0.126027 0.26926
Echinococcus granulosus N chimaerin 0.0132863 0.132628 0.24727
Schistosoma mansoni nck2/grb4 0.0262427 0.391952 0.837414
Echinococcus multilocularis expressed protein 0.0129565 0.126027 0.232457
Loa Loa (eye worm) TK/ABL protein kinase 0.0170883 0.208726 0.315392
Loa Loa (eye worm) hypothetical protein 0.0132863 0.132628 0.186552
Loa Loa (eye worm) hypothetical protein 0.0132863 0.132628 0.186552
Brugia malayi Cyclin, N-terminal domain containing protein 0.0372911 0.613085 1
Onchocerca volvulus 0.0170883 0.208726 1
Echinococcus multilocularis integrin beta 2 0.025214 0.371363 0.78302
Echinococcus multilocularis hematopoietic lineage cell specific protein 0.0129565 0.126027 0.232457
Loa Loa (eye worm) hypothetical protein 0.0129565 0.126027 0.175376
Loa Loa (eye worm) cyclin domain-containing protein 0.0372911 0.613085 1
Echinococcus multilocularis growth factor receptor bound protein 2 0.0262427 0.391952 0.829226
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0262427 0.391952 0.837414
Schistosoma mansoni tensin-related 0.0132863 0.132628 0.283363
Loa Loa (eye worm) hypothetical protein 0.0132863 0.132628 0.186552
Schistosoma mansoni hypothetical protein 0.0129565 0.126027 0.26926
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0170883 0.208726 0.418044
Schistosoma mansoni tensin 0.0132863 0.132628 0.283363
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0170883 0.208726 0.418044
Echinococcus multilocularis epidermal growth factor receptor 0.0105415 0.0776921 0.123987
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0132863 0.132628 0.24727
Brugia malayi SH2 domain containing protein 0.0132863 0.132628 0.186552
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0132863 0.132628 0.24727
Schistosoma mansoni GTPase activating protein 0.0132863 0.132628 0.283363
Echinococcus multilocularis SH2 domain containing adapter protein F 0.0132863 0.132628 0.24727
Schistosoma mansoni run and tbc1 domain containing 0.0129565 0.126027 0.26926
Schistosoma mansoni tyrosine kinase 0.00673947 0.00159385 0.0034053
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0132863 0.132628 0.283363
Brugia malayi SH2 domain containing protein 0.0132863 0.132628 0.186552
Echinococcus granulosus SH2 motif 0.0132863 0.132628 0.24727
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0132863 0.132628 0.24727
Schistosoma mansoni formin binding protein and related proteins 0.0129565 0.126027 0.26926
Schistosoma mansoni Dab2-interacting protein-like 0.0129565 0.126027 0.26926
Echinococcus granulosus tyrosine protein kinase Src42A 0.0300448 0.46805 1
Schistosoma mansoni growth factor receptor-bound protein 0.0262427 0.391952 0.837414
Loa Loa (eye worm) protein kinase C and casein kinase substrate in neurons protein 2 0.0129565 0.126027 0.175376
Onchocerca volvulus 0.0170883 0.208726 1
Trypanosoma brucei conserved protein 0.0129565 0.126027 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0164074 0.195097 0.387458
Brugia malayi Variant SH3 domain containing protein 0.0132863 0.132628 0.186552
Loa Loa (eye worm) hypothetical protein 0.0129565 0.126027 0.175376
Brugia malayi RhoGAP domain containing protein 0.0132863 0.132628 0.186552
Brugia malayi Protein kinase domain containing protein 0.0170883 0.208726 0.315392
Schistosoma mansoni vav2 0.0132863 0.132628 0.283363
Echinococcus granulosus SH2 motif 0.0132863 0.132628 0.24727
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0132863 0.132628 0.186552
Brugia malayi SH2 domain containing protein 0.0132863 0.132628 0.186552
Echinococcus multilocularis tyrosine protein kinase Abl 0.0300448 0.46805 1
Schistosoma mansoni tyrosine kinase 0.0164074 0.195097 0.416829
Echinococcus multilocularis tyrosine kinase 0.0170883 0.208726 0.418044
Entamoeba histolytica SH2 domain containing protein 0.0132863 0.132628 0.0798191
Echinococcus multilocularis N chimaerin 0.0132863 0.132628 0.24727
Brugia malayi Furin-like cysteine rich region family protein 0.0164074 0.195097 0.292316
Onchocerca volvulus 0.0170883 0.208726 1
Loa Loa (eye worm) hypothetical protein 0.0129565 0.126027 0.175376
Schistosoma mansoni tyrosine kinase 0.0105415 0.0776921 0.165991
Loa Loa (eye worm) hypothetical protein 0.0132863 0.132628 0.186552
Schistosoma mansoni tyrosine kinase 0.0300448 0.46805 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0132863 0.132628 0.24727
Brugia malayi Protein kinase domain containing protein 0.0170883 0.208726 0.315392
Echinococcus multilocularis c src tyrosine kinase 0.0300448 0.46805 1
Loa Loa (eye worm) TK/FER protein kinase 0.0170883 0.208726 0.315392
Brugia malayi Protein kinase domain containing protein 0.0170883 0.208726 0.315392
Echinococcus granulosus tyrosine protein kinase Lyn 0.0300448 0.46805 1
Schistosoma mansoni tyrosine kinase 0.0105415 0.0776921 0.165991
Echinococcus granulosus slit robo rho gtpase activating protein 1 0.0129565 0.126027 0.232457
Loa Loa (eye worm) p53BP2 0.0129565 0.126027 0.175376
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0300448 0.46805 1
Loa Loa (eye worm) SH2 domain-containing protein 0.0132863 0.132628 0.186552
Loa Loa (eye worm) hypothetical protein 0.0132863 0.132628 0.186552
Trypanosoma cruzi paraflagellar rod protein 5, putative 0.0129565 0.126027 0.5
Echinococcus granulosus SH2 domain containing protein 7 0.0132863 0.132628 0.24727
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0170883 0.208726 1
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0132863 0.132628 0.283363
Brugia malayi protein-tyrosine kinase 0.0129565 0.126027 0.175376
Echinococcus multilocularis slit robo rho gtpase activating protein 1 0.0129565 0.126027 0.232457
Echinococcus multilocularis arf GAP with SH3 domain, ANK repeat and PH 0.0129565 0.126027 0.232457
Loa Loa (eye worm) TK protein kinase 0.0170883 0.208726 0.315392
Echinococcus granulosus tyrosine protein kinase Fyn 0.0300448 0.46805 1
Echinococcus multilocularis transfer RNA-Ala 0.0129565 0.126027 0.232457
Echinococcus granulosus hypothetical protein 0.0132863 0.132628 0.24727
Schistosoma mansoni tensin-related 0.0132863 0.132628 0.283363
Echinococcus granulosus tyrosine protein kinase ABL1 0.0170883 0.208726 0.418044
Echinococcus multilocularis intersectin 2 0.0129565 0.126027 0.232457
Schistosoma mansoni hypothetical protein 0.0132863 0.132628 0.283363
Echinococcus multilocularis endophilin A3 0.0129565 0.126027 0.232457
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0262427 0.391952 0.625606
Schistosoma mansoni apoptosis stimulating of P53 0.0129565 0.126027 0.26926
Echinococcus multilocularis SH2 motif 0.0132863 0.132628 0.24727
Echinococcus granulosus p2X purinoceptor 4 0.0202015 0.271037 0.557877
Schistosoma mansoni SH2A 0.0132863 0.132628 0.283363
Schistosoma mansoni signal transduction protein lnk-related 0.0132863 0.132628 0.283363
Echinococcus multilocularis p2X purinoceptor 4 0.0202015 0.271037 0.557877
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0300448 0.46805 1
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0132863 0.132628 0.24727
Brugia malayi Integrin beta pat-3 precursor 0.0338975 0.545162 0.885001
Loa Loa (eye worm) hypothetical protein 0.0129565 0.126027 0.175376
Trypanosoma cruzi hypothetical protein, conserved 0.0129565 0.126027 0.5
Brugia malayi SRC-1 0.0300448 0.46805 0.754446
Echinococcus multilocularis tyrosine protein kinase shark 0.0170883 0.208726 0.418044
Entamoeba histolytica protein kinase, putative 0.0132863 0.132628 0.0798191
Loa Loa (eye worm) hypothetical protein 0.0129565 0.126027 0.175376
Loa Loa (eye worm) TK/FER protein kinase 0.0170883 0.208726 0.315392
Schistosoma mansoni adapter molecule crk 0.0262427 0.391952 0.837414
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0170883 0.208726 0.418044
Echinococcus granulosus suppressor of cytokine signaling 7 0.0132863 0.132628 0.24727
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0132863 0.132628 0.24727
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0300448 0.46805 1
Echinococcus granulosus Spectrin alpha actinin 0.0129565 0.126027 0.232457
Onchocerca volvulus Suppressor of cytokine signaling at 36E homolog 0.0132863 0.132628 0.0798191
Onchocerca volvulus 0.0132863 0.132628 0.0798191
Schistosoma mansoni tyrosine kinase 0.00673947 0.00159385 0.0034053
Leishmania major hypothetical protein, conserved 0.0129565 0.126027 0.5
Echinococcus granulosus c src tyrosine kinase 0.0300448 0.46805 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0300448 0.46805 1
Brugia malayi Protein kinase domain containing protein 0.0170883 0.208726 0.315392
Schistosoma mansoni tyrosine-protein kinase zap-70 0.0132863 0.132628 0.283363
Brugia malayi SH2 domain containing protein 0.0132863 0.132628 0.186552
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0300448 0.46805 1
Echinococcus granulosus p2X purinoceptor 4 0.0202015 0.271037 0.557877
Echinococcus granulosus integrin beta 2 0.025214 0.371363 0.78302
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0300448 0.46805 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0170883 0.208726 0.418044
Echinococcus granulosus intersectin 2 0.0129565 0.126027 0.232457
Loa Loa (eye worm) hypothetical protein 0.0132863 0.132628 0.186552
Loa Loa (eye worm) guanylate kinase 0.0129565 0.126027 0.175376
Brugia malayi cytokine inducible SH2-containing protein 5 0.0132863 0.132628 0.186552
Schistosoma mansoni dynamin-associated protein 0.0129565 0.126027 0.26926
Loa Loa (eye worm) TK/FER protein kinase 0.0170883 0.208726 0.315392
Onchocerca volvulus 0.0170883 0.208726 1
Echinococcus multilocularis rho guanine nucleotide exchange factor 7 0.0129565 0.126027 0.232457
Echinococcus granulosus growth factor receptor bound protein 2 0.0262427 0.391952 0.829226
Schistosoma mansoni tyrosine kinase 0.0300448 0.46805 1
Schistosoma mansoni sorbin 0.0129565 0.126027 0.26926
Brugia malayi STAT protein, DNA binding domain containing protein 0.0132863 0.132628 0.186552
Onchocerca volvulus 0.0132863 0.132628 0.0798191
Echinococcus granulosus nostrin 0.0129565 0.126027 0.232457
Echinococcus granulosus arf GAP with SH3 domain ANK repeat and PH 0.0129565 0.126027 0.232457
Echinococcus granulosus tyrosine protein kinase Fyn 0.0300448 0.46805 1
Brugia malayi Variant SH3 domain containing protein 0.0262427 0.391952 0.625606
Echinococcus granulosus tensin 0.0132863 0.132628 0.24727
Loa Loa (eye worm) hypothetical protein 0.0132863 0.132628 0.186552
Schistosoma mansoni integrin beta subunit 0.0201237 0.26948 0.575751
Brugia malayi SH2 domain containing protein 0.0132863 0.132628 0.186552
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0132863 0.132628 0.0798191
Echinococcus granulosus NCK adaptor protein 0.0262427 0.391952 0.829226
Echinococcus granulosus tyrosine kinase 0.0170883 0.208726 0.418044
Echinococcus granulosus signal transduction protein lnk realted 0.0132863 0.132628 0.24727
Schistosoma mansoni sorting nexin 0.0129565 0.126027 0.26926
Brugia malayi Spectrin alpha chain 0.0129565 0.126027 0.175376
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0132863 0.132628 0.24727
Echinococcus multilocularis SH2 motif 0.0132863 0.132628 0.24727
Schistosoma mansoni tyrosine kinase 0.0300448 0.46805 1
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0132863 0.132628 0.24727
Brugia malayi protein-tyrosine kinase 0.0170883 0.208726 0.315392
Echinococcus granulosus rho guanine nucleotide exchange factor 7 0.0129565 0.126027 0.232457
Brugia malayi SH2 domain containing protein 0.0170883 0.208726 0.315392
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0300448 0.46805 1
Onchocerca volvulus 0.0132863 0.132628 0.0798191
Brugia malayi Variant SH3 domain containing protein 0.0132863 0.132628 0.186552
Echinococcus multilocularis epidermal growth factor receptor 0.0164074 0.195097 0.387458
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0132863 0.132628 0.24727
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0129565 0.126027 0.175376
Echinococcus granulosus tyrosine protein kinase Src64B 0.0300448 0.46805 1
Loa Loa (eye worm) hypothetical protein 0.0170883 0.208726 0.315392
Echinococcus granulosus tyrosine protein kinase shark 0.0170883 0.208726 0.418044
Loa Loa (eye worm) TK/FER protein kinase 0.0170883 0.208726 0.315392
Trichomonas vaginalis conserved hypothetical protein 0.0566223 1 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0170883 0.208726 0.418044
Schistosoma mansoni tyrosine kinase 0.0170883 0.208726 0.445949
Schistosoma mansoni serine/threonine protein kinase 0.0167585 0.202125 0.431845
Schistosoma mansoni suppressor of cytokine signaling 0.0132863 0.132628 0.283363
Echinococcus multilocularis SH2 domain containing protein 7 0.0132863 0.132628 0.24727
Echinococcus multilocularis fch and double sh3 domains protein 2 0.0129565 0.126027 0.232457
Echinococcus granulosus src region 0.0129565 0.126027 0.232457
Loa Loa (eye worm) integrin beta-2 0.0338975 0.545162 0.885001
Loa Loa (eye worm) hypothetical protein 0.0132863 0.132628 0.186552
Schistosoma mansoni tensin 0.0132863 0.132628 0.283363
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0300448 0.46805 1
Schistosoma mansoni C-fyn 0.0129565 0.126027 0.26926
Brugia malayi Variant SH3 domain containing protein 0.0129565 0.126027 0.175376
Schistosoma mansoni suppressor of cytokine signaling 0.0132863 0.132628 0.283363
Brugia malayi Guanylate kinase family protein 0.0129565 0.126027 0.175376
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0300448 0.46805 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0300448 0.46805 1
Echinococcus granulosus tyrosine protein kinase Srms 0.0170883 0.208726 0.418044
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0300448 0.46805 1
Echinococcus multilocularis p2X purinoceptor 4 0.0202015 0.271037 0.557877
Loa Loa (eye worm) hypothetical protein 0.0132863 0.132628 0.186552
Brugia malayi Protein kinase domain containing protein 0.0170883 0.208726 0.315392
Brugia malayi Variant SH3 domain containing protein 0.0129565 0.126027 0.175376
Schistosoma mansoni tyrosine kinase 0.00778113 0.0224427 0.0479494
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0262427 0.391952 0.625606
Schistosoma mansoni slit-robo rho gtpase activating protein 0.0129565 0.126027 0.26926

Activities

Activity type Activity value Assay description Source Reference
cLogP = 4.29 The partition coefficient of the compound was reported ChEMBL. 11738575
IC50 (functional) = 0.14 uM Compound was tested for antimalarial activity against P. falciparum ChEMBL. 11738575
IC50 (functional) = 0.14 uM Compound was tested for antimalarial activity against P. falciparum ChEMBL. 11738575
IC50 (functional) = 4.4 uM Compound was tested for antimalarial activity against human epidermoid carcinoma KB 3-1 ChEMBL. 11738575
IC50 (functional) = 4.4 uM Compound was tested for antimalarial activity against human epidermoid carcinoma KB 3-1 ChEMBL. 11738575
Ratio (ADMET) = 31 Selective toxicity index between parasite and cells of host-animals, human epidermoid carcinoma KB 3-1 ChEMBL. 11738575
Ratio (ADMET) = 31 Selective toxicity index between parasite and cells of host-animals, human epidermoid carcinoma KB 3-1 ChEMBL. 11738575

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11738575
Plasmodium falciparum ChEMBL23 11738575

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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