Detailed information for compound 1080066

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 508.494 | Formula: C25H30F6O4
  • H donors: 0 H acceptors: 0 LogP: 7.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: C[C@@H]1CC[C@@H]2[C@@]34[C@H]1CC[C@](OO3)(O[C@H]4OC[C@@H]2CCCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
  • InChi: 1S/C25H30F6O4/c1-14-6-7-20-16(13-32-21-23(20)19(14)8-9-22(2,33-21)34-35-23)5-3-4-15-10-17(24(26,27)28)12-18(11-15)25(29,30)31/h10-12,14,16,19-21H,3-9,13H2,1-2H3/t14-,16+,19+,20+,21-,22+,23-/m1/s1
  • InChiKey: FUTOREOLEFXZAH-RZUHFWIZSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus granulosus cyclin dependent kinase 5 0.00970412 0.0414115 0.0717227
Loa Loa (eye worm) hypothetical protein 0.0064172 0.0188926 0.0229669
Brugia malayi serine/threonine kinase 12 0.0238661 0.138436 0.24091
Brugia malayi hypothetical protein 0.00495918 0.0089036 0.015037
Echinococcus multilocularis roundabout 2 0.0117326 0.0553086 0.0959557
Trichomonas vaginalis CMGC family protein kinase 0.0279297 0.166276 0.845865
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0238661 0.138436 0.704003
Giardia lamblia Kinase, CMGC CDK 0.00970412 0.0414115 0.209593
Echinococcus multilocularis tyrosine protein kinase ABL1 0.00429599 0.00436011 0.00711433
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0238661 0.138436 0.704003
Schistosoma mansoni nephrin 0.00971561 0.0414902 0.07186
Echinococcus multilocularis 0.0258901 0.152303 0.265089
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.149622 1 1
Loa Loa (eye worm) TK/ABL protein kinase 0.00429599 0.00436011 0.00503443
Brugia malayi hypothetical protein 0.00429599 0.00436011 0.00711433
Trichomonas vaginalis CMGC family protein kinase 0.00970412 0.0414115 0.209593
Brugia malayi Furin-like cysteine rich region family protein 0.0874067 0.573757 1
Loa Loa (eye worm) AUR protein kinase 0.0238661 0.138436 0.170479
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0762478 0.497306 0.866689
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.00419369 0.0036592 0.00589211
Entamoeba histolytica PH domain containing protein kinase, putative 0.00544002 0.0121979 0.0607289
Echinococcus granulosus tyrosine protein kinase Fyn 0.0117375 0.055342 0.096014
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0117375 0.055342 0.096014
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.00698006 0.0227488 0.0391796
Loa Loa (eye worm) TK/EGFR protein kinase 0.0874067 0.573757 0.707646
Giardia lamblia Kinase, AGC PKA 0.00516456 0.0103107 0.0511125
Onchocerca volvulus 0.00495918 0.0089036 0.0196069
Loa Loa (eye worm) TK/FER protein kinase 0.00429599 0.00436011 0.00503443
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.00970412 0.0414115 0.0717227
Schistosoma mansoni vesicular amine transporter 0.00698006 0.0227488 0.0391796
Echinococcus multilocularis Glutaredoxin protein 5 0.00419369 0.0036592 0.00589211
Echinococcus granulosus tyrosine protein kinase Src64B 0.0117375 0.055342 0.096014
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0117375 0.055342 0.096014
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.00899702 0.0365671 0.0632753
Echinococcus granulosus epidermal growth factor receptor 0.0591692 0.3803 0.66266
Schistosoma mansoni protein kinase 0.0238661 0.138436 0.24091
Brugia malayi Immunoglobulin I-set domain containing protein 0.00475252 0.00748779 0.0125682
Onchocerca volvulus 0.00370643 0.000320959 0.0000926542
Trypanosoma cruzi cdc2-related kinase 1 0.00970412 0.0414115 0.209593
Trypanosoma brucei cdc2-related kinase 3 0.00970412 0.0414115 0.209593
Echinococcus multilocularis aurora kinase A 0.0238661 0.138436 0.24091
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0102617 0.0452313 0.0783834
Echinococcus granulosus Immunoglobulin 0.00698006 0.0227488 0.0391796
Brugia malayi Protein kinase domain containing protein 0.00429599 0.00436011 0.00711433
Echinococcus granulosus contactin 0.00475252 0.00748779 0.0125682
Brugia malayi SRC-1 0.0117375 0.055342 0.096014
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0238661 0.138436 0.24091
Entamoeba histolytica PH domain containing protein kinase, putative 0.00544002 0.0121979 0.0607289
Schistosoma mansoni ephrin receptor 0.0139476 0.0704838 0.122418
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.00970412 0.0414115 0.209593
Schistosoma mansoni serine/threonine protein kinase 0.00970412 0.0414115 0.0717227
Giardia lamblia Glucosamine-6-phosphate isomerase, putative 0.0064607 0.0191906 0.0963619
Loa Loa (eye worm) TK/FAK protein kinase 0.0610186 0.39297 0.484563
Echinococcus multilocularis tyrosine protein kinase Srms 0.0102617 0.0452313 0.0783834
Loa Loa (eye worm) TK/FER protein kinase 0.00429599 0.00436011 0.00503443
Plasmodium vivax unspecified product 0.0279297 0.166276 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.00747902 0.0261672 0.0451405
Echinococcus granulosus tyrosine protein kinase HCK 0.00874831 0.0348632 0.0603041
Schistosoma mansoni tyrosine kinase 0.00429599 0.00436011 0.00711433
Brugia malayi Protein kinase domain containing protein 0.00757922 0.0268537 0.0463375
Brugia malayi Immunoglobulin I-set domain containing protein 0.00475252 0.00748779 0.0125682
Brugia malayi Trypsin family protein 0.00495918 0.0089036 0.015037
Echinococcus granulosus tyrosine protein kinase Src42A 0.0117375 0.055342 0.096014
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.00475252 0.00748779 0.0125682
Brugia malayi Trypsin family protein 0.00495918 0.0089036 0.015037
Trichomonas vaginalis CMGC family protein kinase 0.0279297 0.166276 0.845865
Loa Loa (eye worm) plexin A 0.00406685 0.00279021 0.00309723
Brugia malayi Casein kinase II, alpha chain 0.0279297 0.166276 0.289455
Trypanosoma cruzi cdc2-related kinase 1 0.00970412 0.0414115 0.209593
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.143162 0.955737 1
Plasmodium falciparum protein kinase 5 0.00970412 0.0414115 0.247785
Onchocerca volvulus 0.00429599 0.00436011 0.00927641
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.00419369 0.0036592 0.00589211
Loa Loa (eye worm) TK/FER protein kinase 0.00429599 0.00436011 0.00503443
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0162045 0.085946 0.105708
Trichomonas vaginalis CMGC family protein kinase 0.00970412 0.0414115 0.209593
Loa Loa (eye worm) hypothetical protein 0.00495918 0.0089036 0.0106409
Brugia malayi Immunoglobulin I-set domain containing protein 0.00813561 0.0306655 0.0529844
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.00516456 0.0103107 0.0174907
Mycobacterium ulcerans N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB 0.0064607 0.0191906 0.0103794
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0162045 0.085946 0.14938
Toxoplasma gondii aurora kinase 0.0238661 0.138436 0.83192
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.0310993 0.187991 0.327321
Entamoeba histolytica protein kinase domain containing protein 0.0279297 0.166276 0.845865
Echinococcus granulosus glycoprotein Antigen 5 0.00495918 0.0089036 0.015037
Echinococcus granulosus enteropeptidase 0.00495918 0.0089036 0.015037
Loa Loa (eye worm) trypsin family protein 0.00495918 0.0089036 0.0106409
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0238661 0.138436 0.24091
Schistosoma mansoni cercarial elastase (S01 family) 0.00495918 0.0089036 0.015037
Entamoeba histolytica protein kinase, putative 0.00874831 0.0348632 0.176225
Brugia malayi Immunoglobulin I-set domain containing protein 0.075314 0.490909 0.855534
Echinococcus granulosus tyrosine protein kinase Blk 0.0102617 0.0452313 0.0783834
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0762478 0.497306 0.866689
Loa Loa (eye worm) hypothetical protein 0.00873325 0.03476 0.0425466
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.00436264 0.00481672 0.00791055
Loa Loa (eye worm) TK/FER protein kinase 0.00429599 0.00436011 0.00503443
Trypanosoma brucei aurora B kinase 0.0238661 0.138436 0.704003
Onchocerca volvulus 0.00429599 0.00436011 0.00927641
Schistosoma mansoni titin 0.00370643 0.000320959 0.000071059
Trichomonas vaginalis CAMK family protein kinase 0.0323448 0.196524 1
Schistosoma mansoni cercarial elastase (S01 family) 0.00495918 0.0089036 0.015037
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.00495918 0.0089036 0.015037
Brugia malayi protein-tyrosine kinase 0.0102617 0.0452313 0.0783834
Onchocerca volvulus 0.0635344 0.410206 0.932042
Schistosoma mansoni tyrosine kinase 0.0750922 0.489389 0.852884
Schistosoma mansoni cercarial elastase (S01 family) 0.00495918 0.0089036 0.015037
Echinococcus multilocularis cyclin dependent kinase 1 0.00970412 0.0414115 0.0717227
Trichomonas vaginalis CAMK family protein kinase 0.0323448 0.196524 1
Giardia lamblia Kinase, CMGC CDK 0.00970412 0.0414115 0.209593
Trypanosoma cruzi casein kinase II, putative 0.0279297 0.166276 0.845865
Echinococcus multilocularis cyclin dependent kinase 0.00970412 0.0414115 0.0717227
Echinococcus granulosus plexin a4 0.00406685 0.00279021 0.00437681
Trypanosoma brucei protein kinase, putative 0.00375351 0.000643539 0.00185143
Schistosoma mansoni tyrosine kinase 0.0591692 0.3803 0.66266
Echinococcus multilocularis Immunoglobulin 0.00698006 0.0227488 0.0391796
Onchocerca volvulus 0.011165 0.0514198 0.116275
Echinococcus multilocularis cyclin dependent kinase 1 0.00970412 0.0414115 0.0717227
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0064607 0.0191906 0.032975
Plasmodium falciparum serine/threonine protein kinase, putative 0.0238661 0.138436 0.832288
Loa Loa (eye worm) TK/KIN16 protein kinase 0.075314 0.490909 0.605416
Brugia malayi serine/threonine-protein kinase plk-2 0.0323448 0.196524 0.3422
Giardia lamblia Kinase, PLK 0.0323448 0.196524 1
Schistosoma mansoni tyrosine kinase 0.0563866 0.361236 0.629417
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.00375351 0.000643539 0.00185143
Loa Loa (eye worm) CAMK protein kinase 0.00370643 0.000320959 0.0000502846
Loa Loa (eye worm) hypothetical protein 0.011165 0.0514198 0.0631041
Echinococcus multilocularis glycoprotein Antigen 5 0.00495918 0.0089036 0.015037
Loa Loa (eye worm) TK/FER protein kinase 0.00429599 0.00436011 0.00503443
Entamoeba histolytica protein kinase 2, putative 0.00516456 0.0103107 0.0511125
Loa Loa (eye worm) hypothetical protein 0.00495918 0.0089036 0.0106409
Echinococcus multilocularis Immunoglobulin 0.00698006 0.0227488 0.0391796
Trichomonas vaginalis CMGC family protein kinase 0.0279297 0.166276 0.845865
Schistosoma mansoni tyrosine kinase 0.0874067 0.573757 1
Schistosoma mansoni tyrosine kinase 0.0563866 0.361236 0.629417
Echinococcus granulosus cyclin dependent kinase 1 0.00970412 0.0414115 0.0717227
Mycobacterium leprae Mycothiol conjugate amidase Mca (Mycothiol S-conjugate amidase) 0.149622 1 1
Entamoeba histolytica protein kinase, putative 0.00730377 0.0249665 0.125794
Echinococcus granulosus c src tyrosine kinase 0.00577178 0.0144708 0.0247449
Trichomonas vaginalis CMGC family protein kinase 0.0279297 0.166276 0.845865
Schistosoma mansoni cercarial elastase (S01 family) 0.00495918 0.0089036 0.015037
Echinococcus multilocularis activin receptor type 0.00375351 0.000643539 0.000633558
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.00429599 0.00436011 0.00711433
Leishmania major protein kinase, putative 0.0238661 0.138436 0.704003
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.00475252 0.00748779 0.0125682
Trichomonas vaginalis CAMK family protein kinase 0.0323448 0.196524 1
Schistosoma mansoni protein kinase 0.00375351 0.000643539 0.000633558
Schistosoma mansoni serine/threonine protein kinase 0.0162045 0.085946 0.14938
Echinococcus granulosus tyrosine protein kinase Fyn 0.0117375 0.055342 0.096014
Loa Loa (eye worm) AUR protein kinase 0.0238661 0.138436 0.170479
Trichomonas vaginalis CAMK family protein kinase 0.0323448 0.196524 1
Echinococcus granulosus serine threonine protein kinase nrc 0.00516456 0.0103107 0.0174907
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.00475252 0.00748779 0.00889385
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.00495918 0.0089036 0.015037
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0064607 0.0191906 0.0963619
Plasmodium falciparum casein kinase 2, alpha subunit 0.0279297 0.166276 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0127083 0.0619935 0.107613
Toxoplasma gondii AGC kinase 0.00730377 0.0249665 0.146849
Schistosoma mansoni nephrin 0.00475252 0.00748779 0.0125682
Echinococcus multilocularis cyclin dependent kinase 5 0.00970412 0.0414115 0.0717227
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0064607 0.0191906 0.032975
Echinococcus granulosus Mastin 0.00495918 0.0089036 0.015037
Echinococcus granulosus tyrosine protein kinase Btk29A 0.00577178 0.0144708 0.0247449
Schistosoma mansoni Neurotrimin precursor (hNT) 0.00698006 0.0227488 0.0391796
Onchocerca volvulus Serine\/threonine kinase homolog 0.0323448 0.196524 0.446197
Trypanosoma cruzi cdc2-related kinase 3 0.00970412 0.0414115 0.209593
Echinococcus multilocularis tyrosine protein kinase Src42A 0.00747902 0.0261672 0.0451405
Schistosoma mansoni cercarial elastase (S01 family) 0.00495918 0.0089036 0.015037
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.00572339 0.0141393 0.0171016
Schistosoma mansoni tyrosine kinase 0.00577178 0.0144708 0.0247449
Entamoeba histolytica cell division protein kinase 2, putative 0.00970412 0.0414115 0.209593
Schistosoma mansoni tyrosine kinase 0.0591692 0.3803 0.66266
Entamoeba histolytica cell division protein kinase 2, putative 0.00970412 0.0414115 0.209593
Trichomonas vaginalis CAMK family protein kinase 0.0109083 0.0496615 0.251632
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.00495918 0.0089036 0.015037
Entamoeba histolytica SH2-protein kinase domain containing protein 0.00429599 0.00436011 0.02079
Echinococcus multilocularis tyrosine protein kinase Blk 0.0102617 0.0452313 0.0783834
Brugia malayi serine/threonine-protein kinase 6 0.0238661 0.138436 0.24091
Trypanosoma cruzi polo-like protein kinase, putative 0.0323448 0.196524 1
Brugia malayi serine/threonine protein kinase 6 0.0238661 0.138436 0.24091
Schistosoma mansoni serine/threonine protein kinase 0.00425843 0.00410275 0.00666555
Echinococcus granulosus aurora kinase A 0.0238661 0.138436 0.24091
Onchocerca volvulus 0.00495918 0.0089036 0.0196069
Loa Loa (eye worm) hypothetical protein 0.00495918 0.0089036 0.0106409
Schistosoma mansoni serine/threonine protein kinase 0.00370643 0.000320959 0.000071059
Echinococcus granulosus tyrosine protein kinase Srms 0.00429599 0.00436011 0.00711433
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.00475252 0.00748779 0.0125682
Schistosoma mansoni ephrin receptor 0.00393819 0.00190878 0.00283983
Trypanosoma brucei rac serine-threonine kinase, putative 0.00757922 0.0268537 0.135411
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.00970412 0.0414115 0.246135
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0323448 0.196524 0.3422
Loa Loa (eye worm) TK protein kinase 0.00436264 0.00481672 0.00559787
Schistosoma mansoni cercarial elastase (S01 family) 0.00495918 0.0089036 0.015037
Schistosoma mansoni tyrosine kinase 0.0117375 0.055342 0.096014
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.00516456 0.0103107 0.0604263
Brugia malayi Immunoglobulin I-set domain containing protein 0.00475252 0.00748779 0.0125682
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.00970412 0.0414115 0.0507543
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.00495918 0.0089036 0.015037
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0323448 0.196524 1
Echinococcus multilocularis enteropeptidase 0.00495918 0.0089036 0.015037
Trichomonas vaginalis AGC family protein kinase 0.00757922 0.0268537 0.135411
Trichomonas vaginalis AGC family protein kinase 0.0238661 0.138436 0.704003
Schistosoma mansoni tyrosine kinase 0.00637961 0.0186351 0.0320063
Schistosoma mansoni hypothetical protein 0.00495918 0.0089036 0.015037
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.00495918 0.0089036 0.015037
Schistosoma mansoni tyrosine kinase 0.0750922 0.489389 0.852884
Brugia malayi Trypsin family protein 0.00495918 0.0089036 0.015037
Onchocerca volvulus 0.00495918 0.0089036 0.0196069
Schistosoma mansoni cell adhesion molecule 0.0101526 0.0444839 0.0770802
Trichomonas vaginalis AGC family protein kinase 0.0238661 0.138436 0.704003
Echinococcus granulosus roundabout 2 0.00475252 0.00748779 0.0125682
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.00495918 0.0089036 0.015037
Echinococcus granulosus defective proboscis extension response 0.00698006 0.0227488 0.0391796
Schistosoma mansoni cercarial elastase (S01 family) 0.00495918 0.0089036 0.015037
Onchocerca volvulus 0.00429599 0.00436011 0.00927641
Onchocerca volvulus 0.00495918 0.0089036 0.0196069
Entamoeba histolytica protein kinase domain containing protein 0.0238661 0.138436 0.704003
Echinococcus multilocularis c src tyrosine kinase 0.00577178 0.0144708 0.0247449
Schistosoma mansoni cell adhesion molecule 0.00475252 0.00748779 0.0125682
Echinococcus multilocularis tyrosine protein kinase shark 0.00429599 0.00436011 0.00711433
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0064607 0.0191906 0.0963619
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0323448 0.196524 0.3422
Schistosoma mansoni tyrosine kinase 0.00577178 0.0144708 0.0247449
Brugia malayi Tyrosine-protein kinase abl-1 0.00577178 0.0144708 0.0247449
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0064607 0.0191906 0.115414
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0102617 0.0452313 0.0783834
Echinococcus granulosus tyrosine kinase 0.00429599 0.00436011 0.00711433
Trichomonas vaginalis CAMK family protein kinase 0.0323448 0.196524 1
Schistosoma mansoni cell adhesion molecule 0.00475252 0.00748779 0.0125682
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0064607 0.0191906 0.032975
Echinococcus multilocularis roundabout 2 0.00475252 0.00748779 0.0125682
Echinococcus multilocularis tyrosine kinase 0.00429599 0.00436011 0.00711433
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.00495918 0.0089036 0.015037
Schistosoma mansoni serine/threonine protein kinase 0.00970412 0.0414115 0.0717227
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0064607 0.0191906 0.0233347
Schistosoma mansoni protein kinase 0.00375351 0.000643539 0.000633558
Onchocerca volvulus 0.00495918 0.0089036 0.0196069
Leishmania major N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase 0.0064607 0.0191906 0.0963619
Loa Loa (eye worm) hypothetical protein 0.00899702 0.0365671 0.0447765
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0117375 0.055342 0.096014
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.00475252 0.00748779 0.0125682
Schistosoma mansoni serine/threonine-protein kinase 0.00544002 0.0121979 0.0207814
Echinococcus granulosus nervana 2 0.00419369 0.0036592 0.00589211
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0117375 0.055342 0.096014
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.00495918 0.0089036 0.015037
Trichomonas vaginalis AGC family protein kinase 0.00757922 0.0268537 0.135411
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0117375 0.055342 0.096014
Echinococcus granulosus dual specificity testis-specific protein kinase 0.00375351 0.000643539 0.000633558
Trichomonas vaginalis AGC family protein kinase 0.00757922 0.0268537 0.135411
Schistosoma mansoni serine/threonine-protein kinase 0.00544002 0.0121979 0.0207814
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.00495918 0.0089036 0.015037
Brugia malayi SH2 domain containing protein 0.00429599 0.00436011 0.00711433
Echinococcus multilocularis nervana 2 0.00419369 0.0036592 0.00589211
Schistosoma mansoni cercarial elastase (S01 family) 0.00495918 0.0089036 0.015037
Trichomonas vaginalis CMGC family protein kinase 0.00970412 0.0414115 0.209593
Echinococcus multilocularis transmembrane protease serine 3 0.00495918 0.0089036 0.015037
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0064607 0.0191906 0.0963619
Trypanosoma brucei cdc2-related kinase 1 0.00970412 0.0414115 0.209593
Echinococcus multilocularis casein kinase ii subunit alpha 0.0279297 0.166276 0.289455
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0162045 0.085946 0.14938
Loa Loa (eye worm) TK/FER protein kinase 0.00429599 0.00436011 0.00503443
Echinococcus granulosus tyrosine protein kinase Fps85D 0.00429599 0.00436011 0.00711433
Loa Loa (eye worm) AUR protein kinase 0.0238661 0.138436 0.170479
Trichomonas vaginalis AGC family protein kinase 0.00757922 0.0268537 0.135411
Schistosoma mansoni neuroglian 0.00475252 0.00748779 0.0125682
Trypanosoma brucei N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase 0.0064607 0.0191906 0.0963619
Echinococcus granulosus nervana 2 0.00419369 0.0036592 0.00589211
Schistosoma mansoni kinase 0.0525357 0.334854 0.583412
Echinococcus granulosus tyrosine protein kinase shark 0.00429599 0.00436011 0.00711433
Echinococcus granulosus transmembrane protease serine 3 0.00495918 0.0089036 0.015037
Trypanosoma brucei Casein kinase II 0.0279297 0.166276 0.845865
Loa Loa (eye worm) TK/FER protein kinase 0.00429599 0.00436011 0.00503443
Echinococcus granulosus twitchin 0.00953093 0.040225 0.0696537
Echinococcus multilocularis dual specificity testis specific protein kinase 0.00375351 0.000643539 0.000633558
Loa Loa (eye worm) hypothetical protein 0.00698006 0.0227488 0.0277253
Loa Loa (eye worm) hypothetical protein 0.00813561 0.0306655 0.0374942
Brugia malayi Protein kinase domain containing protein 0.0610186 0.39297 0.684754
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.00970412 0.0414115 0.0507543
Schistosoma mansoni tyrosine kinase 0.0602798 0.387909 0.675927
Brugia malayi cell division control protein 2 homolog 0.00970412 0.0414115 0.0717227
Plasmodium falciparum protein kinase, putative 0.00375351 0.000643539 0.0021888
Trypanosoma cruzi Protein kinase B 0.00544002 0.0121979 0.0607289
Brugia malayi Protein kinase domain containing protein 0.00970412 0.0414115 0.0717227
Echinococcus granulosus serine/threonine protein kinase 0.00544002 0.0121979 0.0207814
Loa Loa (eye worm) TK/INSR protein kinase 0.0750922 0.489389 0.60354
Brugia malayi Protein kinase domain containing protein 0.00429599 0.00436011 0.00711433
Trichomonas vaginalis AGC family protein kinase 0.00757922 0.0268537 0.135411
Trichomonas vaginalis CMGC family protein kinase 0.0279297 0.166276 0.845865
Echinococcus granulosus tyrosine kinase 0.0102617 0.0452313 0.0783834
Trypanosoma cruzi rac serine-threonine kinase, putative 0.00516456 0.0103107 0.0511125
Trypanosoma cruzi rac serine-threonine kinase, putative 0.00544002 0.0121979 0.0607289
Echinococcus multilocularis neuroglian 0.00856006 0.0335735 0.0580551
Echinococcus multilocularis tyrosine protein kinase HCK 0.00874831 0.0348632 0.0603041
Echinococcus granulosus ephrin type A receptor 4 A 0.0166073 0.0887058 0.154192
Loa Loa (eye worm) hypothetical protein 0.00475252 0.00748779 0.00889385
Entamoeba histolytica protein kinase , putative 0.0238661 0.138436 0.704003
Brugia malayi Trypsin family protein 0.00495918 0.0089036 0.015037
Loa Loa (eye worm) hypothetical protein 0.010577 0.0473918 0.0581338
Brugia malayi Protein kinase domain containing protein 0.00429599 0.00436011 0.00711433
Brugia malayi Immunoglobulin I-set domain containing protein 0.00370643 0.000320959 0.000071059
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0117375 0.055342 0.096014
Echinococcus granulosus neuroglian 0.00856006 0.0335735 0.0580551
Brugia malayi plexin A 0.00406685 0.00279021 0.00437681
Trypanosoma cruzi polo-like protein kinase, putative 0.0323448 0.196524 1
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.00375351 0.000643539 0.00185143
Loa Loa (eye worm) hypothetical protein 0.00495918 0.0089036 0.0106409
Entamoeba histolytica protein kinase, putative 0.0238661 0.138436 0.704003
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0162045 0.085946 0.105708
Trichomonas vaginalis CMGC family protein kinase 0.0279297 0.166276 0.845865
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.00495918 0.0089036 0.015037
Giardia lamblia Aurora kinase 0.0238661 0.138436 0.704003
Loa Loa (eye worm) hypothetical protein 0.00698006 0.0227488 0.0277253
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0323448 0.196524 0.242157
Onchocerca volvulus Tyrosine kinase homolog 0.067897 0.440095 1
Entamoeba histolytica N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative 0.0064607 0.0191906 0.0963619
Toxoplasma gondii N-acetylglucosaminylphosphatidylinositol deacetylase 0.0064607 0.0191906 0.111977
Brugia malayi Protein kinase domain containing protein 0.00429599 0.00436011 0.00711433
Echinococcus multilocularis ephrin type A receptor 4 A 0.0166073 0.0887058 0.154192
Entamoeba histolytica casein kinase, putative 0.0279297 0.166276 0.845865
Loa Loa (eye worm) CAMK/CAMKL/NUAK protein kinase 0.121989 0.81068 1
Loa Loa (eye worm) hypothetical protein 0.00495918 0.0089036 0.0106409
Trichomonas vaginalis AGC family protein kinase 0.00757922 0.0268537 0.135411
Schistosoma mansoni serine/threonine protein kinase 0.0323448 0.196524 0.3422
Schistosoma mansoni tyrosine kinase 0.0563866 0.361236 0.629417
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.00495918 0.0089036 0.015037
Onchocerca volvulus 0.00429599 0.00436011 0.00927641
Echinococcus granulosus roundabout 2 0.0117326 0.0553086 0.0959557
Plasmodium vivax protein kinase Crk2 0.00970412 0.0414115 0.249053
Entamoeba histolytica serine/threonine protein kinase, putative 0.0323448 0.196524 1
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.00436264 0.00481672 0.00791055
Loa Loa (eye worm) hypothetical protein 0.00813561 0.0306655 0.0374942
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.00370643 0.000320959 0.0000502846
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0117375 0.055342 0.096014
Trypanosoma cruzi cdc2-related kinase 3 0.00970412 0.0414115 0.209593
Leishmania major protein kinase, putative 0.00375351 0.000643539 0.00185143
Brugia malayi Immunoglobulin I-set domain containing protein 0.00436264 0.00481672 0.00791055
Onchocerca volvulus 0.00429599 0.00436011 0.00927641
Loa Loa (eye worm) hypothetical protein 0.00495918 0.0089036 0.0106409
Onchocerca volvulus 0.00495918 0.0089036 0.0196069
Loa Loa (eye worm) TK/FER protein kinase 0.00429599 0.00436011 0.00503443
Loa Loa (eye worm) TK/EPH protein kinase 0.0170086 0.0914548 0.112506
Loa Loa (eye worm) hypothetical protein 0.010577 0.0473918 0.0581338
Echinococcus multilocularis protein tyrosine kinase 0.0602798 0.387909 0.675927
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.00495918 0.0089036 0.015037
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.00970412 0.0414115 0.0507543
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0064607 0.0191906 0.032975
Trichomonas vaginalis CAMK family protein kinase 0.0109083 0.0496615 0.251632
Echinococcus multilocularis neuroglian 0.00475252 0.00748779 0.0125682
Brugia malayi Fibronectin type III domain containing protein 0.00813561 0.0306655 0.0529844
Loa Loa (eye worm) TK protein kinase 0.0102617 0.0452313 0.0554678
Trichomonas vaginalis CAMK family protein kinase 0.0323448 0.196524 1
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.0310993 0.187991 0.327321
Loa Loa (eye worm) hypothetical protein 0.00813561 0.0306655 0.0374942
Loa Loa (eye worm) hypothetical protein 0.0292112 0.175056 0.215666
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0238661 0.138436 0.704003
Echinococcus granulosus titin 0.00370643 0.000320959 0.000071059
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0279297 0.166276 1
Brugia malayi Protein kinase domain containing protein 0.0319939 0.19412 0.338008
Brugia malayi SH2 domain containing protein 0.00429599 0.00436011 0.00711433
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.00577178 0.0144708 0.0247449
Echinococcus granulosus titin 0.00370643 0.000320959 0.000071059
Schistosoma mansoni cercarial elastase (S01 family) 0.00495918 0.0089036 0.015037
Schistosoma mansoni cercarial elastase (S01 family) 0.00495918 0.0089036 0.015037
Loa Loa (eye worm) TK/FER protein kinase 0.00429599 0.00436011 0.00503443
Echinococcus granulosus roundabout 2 0.00475252 0.00748779 0.0125682
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0117375 0.055342 0.096014
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0591692 0.3803 0.66266
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.00970412 0.0414115 0.209593
Entamoeba histolytica protein kinase, putative 0.00757922 0.0268537 0.135411
Plasmodium falciparum N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0064607 0.0191906 0.113921
Trichomonas vaginalis AGC family protein kinase 0.0238661 0.138436 0.704003
Trichomonas vaginalis CMGC family protein kinase 0.0279297 0.166276 0.845865
Echinococcus granulosus protein tyrosine kinase 0.0602798 0.387909 0.675927
Onchocerca volvulus 0.00429599 0.00436011 0.00927641
Echinococcus granulosus tyrosine protein kinase Fyn 0.0117375 0.055342 0.096014
Echinococcus multilocularis nervana 2 0.00419369 0.0036592 0.00589211
Loa Loa (eye worm) TK/FER protein kinase 0.00429599 0.00436011 0.00503443
Schistosoma mansoni protein kinase 0.00375351 0.000643539 0.000633558
Loa Loa (eye worm) AGC/AKT protein kinase 0.00757922 0.0268537 0.0327906
Entamoeba histolytica protein kinase domain containing protein 0.00375351 0.000643539 0.00185143
Leishmania major casein kinase II, putative 0.0279297 0.166276 0.845865
Brugia malayi Protein kinase domain containing protein 0.00429599 0.00436011 0.00711433
Schistosoma mansoni protein kinase 0.0279297 0.166276 0.289455
Brugia malayi p70 ribosomal S6 kinase beta 0.00730377 0.0249665 0.0430468
Echinococcus granulosus casein kinase ii subunit alpha 0.0279297 0.166276 0.289455
Echinococcus granulosus neuroglian 0.00475252 0.00748779 0.0125682
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.00730377 0.0249665 0.0304619
Echinococcus granulosus epidermal growth factor receptor 0.0874067 0.573757 1
Loa Loa (eye worm) TK/ROR protein kinase 0.00436264 0.00481672 0.00559787
Brugia malayi Protein kinase domain containing protein 0.0750922 0.489389 0.852884
Echinococcus granulosus activin receptor type 0.00375351 0.000643539 0.000633558
Schistosoma mansoni cercarial elastase (S01 family) 0.00495918 0.0089036 0.015037
Echinococcus multilocularis epidermal growth factor receptor 0.0874067 0.573757 1
Schistosoma mansoni tyrosine kinase 0.0117375 0.055342 0.096014
Echinococcus multilocularis titin 0.00370643 0.000320959 0.000071059
Brugia malayi hypothetical protein 0.00813561 0.0306655 0.0529844
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.00475252 0.00748779 0.0125682
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0117375 0.055342 0.096014
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0162045 0.085946 0.194777
Schistosoma mansoni hypothetical protein 0.00495918 0.0089036 0.015037
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0238661 0.138436 0.832571
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0064607 0.0191906 0.0963619
Trichomonas vaginalis CAMK family protein kinase 0.0323448 0.196524 1
Trypanosoma brucei polo-like protein kinase 0.0323448 0.196524 1
Echinococcus granulosus Glutaredoxin protein 5 0.00419369 0.0036592 0.00589211
Loa Loa (eye worm) SRC-1 0.0117375 0.055342 0.067944
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.00495918 0.0089036 0.015037
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0162045 0.085946 0.14938
Brugia malayi Protein kinase domain containing protein 0.0162045 0.085946 0.14938
Loa Loa (eye worm) hypothetical protein 0.00429599 0.00436011 0.00503443
Echinococcus multilocularis Mastin 0.00495918 0.0089036 0.015037
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0279297 0.166276 0.204832
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.00516456 0.0103107 0.0174907
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0117375 0.055342 0.096014
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0117375 0.055342 0.096014
Loa Loa (eye worm) hypothetical protein 0.00698006 0.0227488 0.0277253
Loa Loa (eye worm) hypothetical protein 0.00495918 0.0089036 0.0106409
Echinococcus multilocularis epidermal growth factor receptor 0.0591692 0.3803 0.66266
Schistosoma mansoni serine/threonine protein kinase 0.0238661 0.138436 0.24091
Echinococcus multilocularis contactin neuroglian septate junction protein 0.00475252 0.00748779 0.0125682
Echinococcus granulosus tyrosine protein kinase ABL1 0.00429599 0.00436011 0.00711433
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.00375351 0.000643539 0.00185143
Echinococcus multilocularis roundabout 2 0.00475252 0.00748779 0.0125682
Echinococcus multilocularis rac serine:threonine kinase 0.00544002 0.0121979 0.0207814
Brugia malayi protein unc-22 0.00370643 0.000320959 0.000071059
Trichomonas vaginalis AGC family protein kinase 0.00757922 0.0268537 0.135411
Trichomonas vaginalis AGC family protein kinase 0.0238661 0.138436 0.704003
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.00577178 0.0144708 0.0247449
Entamoeba histolytica protein kinase, putative 0.0238661 0.138436 0.704003
Brugia malayi Trypsin-like protease protein 5 0.00495918 0.0089036 0.015037
Echinococcus multilocularis basement membrane specific heparan sulfate 0.00698006 0.0227488 0.0391796
Toxoplasma gondii CMGC kinase, CK2 family 0.0279297 0.166276 1
Entamoeba histolytica protein kinase, putative 0.00757922 0.0268537 0.135411
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.00516456 0.0103107 0.0620097
Echinococcus granulosus cyclin dependent kinase 0.00970412 0.0414115 0.0717227
Schistosoma mansoni tyrosine kinase 0.00429599 0.00436011 0.00711433
Loa Loa (eye worm) TK protein kinase 0.00874831 0.0348632 0.042674
Echinococcus multilocularis tyrosine protein kinase Abl 0.00577178 0.0144708 0.0247449
Brugia malayi ephrin receptor 1 precursor 0.00804429 0.0300399 0.0518934
Echinococcus multilocularis insulin receptor 0.0750922 0.489389 0.852884
Echinococcus granulosus insulin receptor 0.0750922 0.489389 0.852884
Trypanosoma cruzi aurora B kinase, putative 0.0238661 0.138436 0.704003
Echinococcus multilocularis plexin a4 0.00406685 0.00279021 0.00437681
Giardia lamblia Kinase, CMGC CK2 0.0279297 0.166276 0.845865

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.9 mg kg-1 Effective dose after subcutaneous administration in a mouse malaria model against Plasmodium berghei N strain for 50% inhibition ChEMBL. 12213073
ED50 (functional) = 1.5 mg kg-1 Effective dose after oral administration against Plasmodium yoelii sspNS for 50%inhibition in presence of DMSO ChEMBL. 12213073
ED50 (functional) = 2.6 mg kg-1 Effective dose after peroral administration in a mouse malaria model against Plasmodium berghei N strain for 50% inhibition ChEMBL. 12213073
ED50 (functional) = 4.2 mg kg-1 Effective dose after oral administration against Plasmodium yoelii sspNS for 50%inhibition in presence of SSV ChEMBL. 12213073
ED90 (functional) = 1.7 mg kg-1 Effective dose after subcutaneous administration in a mouse malaria model against Plasmodium berghei N strain for 90% inhibition ChEMBL. 12213073
ED90 (functional) = 3.6 mg kg-1 Effective dose after oral administration against Plasmodium yoelii sspNS for 90%inhibition in presence of DMSO ChEMBL. 12213073
ED90 (functional) = 5 mg kg-1 Effective dose after peroral administration in a mouse malaria model against Plasmodium berghei N strain for 90% inhibition ChEMBL. 12213073
ED90 (functional) = 12 mg kg-1 Effective dose after oral administration against Plasmodium yoelii sspNS for 90%inhibition in presence of SSV ChEMBL. 12213073
IC50 (functional) = 0.78 ng ml-1 Inhibitory activity against Plasmodium falciparum D6 strain ChEMBL. 12213073
IC50 (functional) = 4.06 ng ml-1 Inhibitory activity against Plasmodium falciparum K1 strain ChEMBL. 12213073
IC50 (functional) = 7.11 ng ml-1 Inhibitory activity against Plasmodium falciparum W2 strain ChEMBL. 12213073
NT (functional) Inhibitory activity against Plasmodium falciparum NF54 strain; Not tested ChEMBL. 12213073

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 12213073

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

No literature references available for this target.

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