Detailed information for compound 763746

Basic information

Technical information
  • TDR Targets ID: 763746
  • Name: [1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidi n-3-yl]-[3-(trifluoromethyl)phenyl]methanone
  • MW: 407.426 | Formula: C22H24F3NO3
  • H donors: 1 H acceptors: 2 LogP: 4.46 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cccc(c1O)CN1CCCC(C1)C(=O)c1cccc(c1)C(F)(F)F
  • InChi: 1S/C22H24F3NO3/c1-2-29-19-10-4-7-17(21(19)28)14-26-11-5-8-16(13-26)20(27)15-6-3-9-18(12-15)22(23,24)25/h3-4,6-7,9-10,12,16,28H,2,5,8,11,13-14H2,1H3
  • InChiKey: PNTBUADRDKJBID-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [1-[(3-ethoxy-2-hydroxy-phenyl)methyl]-3-piperidyl]-[3-(trifluoromethyl)phenyl]methanone
  • [1-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-piperidinyl]-[3-(trifluoromethyl)phenyl]methanone
  • [1-(3-ethoxy-2-hydroxy-benzyl)-3-piperidyl]-[3-(trifluoromethyl)phenyl]methanone
  • [1-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
  • SMR000319571
  • [1-(3-ethoxy-2-hydroxybenzyl)piperidin-3-yl][3-(trifluoromethyl)phenyl]methanone
  • MLS000693762

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Plasmodium vivax hexose transporter 0.0223 0.2253 0.2253
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Echinococcus granulosus solute carrier family 22 0.0031 0.0201 0.0345
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0028 0.016 0.0709
Trichomonas vaginalis myo-inositol transporter, putative 0.0031 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0201 0.0894
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0067 0.0582 0.2583
Leishmania major lysyl-tRNA synthetase, putative 0.005 0.0399 0.5689
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0223 0.2253 0.3863
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0894
Plasmodium vivax CDK-related protein kinase 6, putative 0.0948 1 1
Echinococcus granulosus solute carrier family 22 0.0031 0.0201 0.0345
Echinococcus multilocularis General substrate transporter 0.0192 0.1918 0.3287
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0201 0.2874
Echinococcus granulosus solute carrier family 22 0.0031 0.0201 0.0345
Loa Loa (eye worm) sugar transporter 0.0223 0.2253 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0069 0.0606 0.8651
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0068 0.0597 0.8517
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0894
Trypanosoma brucei glucose transporter, putative 0.0069 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0068 0.0597 0.1023
Plasmodium falciparum calcium-dependent protein kinase 2 0.0068 0.0597 0.0597
Schistosoma mansoni glucose transport protein 0.0223 0.2253 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0894
Trichomonas vaginalis glucose transporter, putative 0.0031 0.0201 0.0894
Leishmania major hypothetical protein, conserved 0.0031 0.0201 0.2874
Brugia malayi hypothetical protein 0.0031 0.0201 0.0894
Schistosoma mansoni glucose transporter 0.0031 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Echinococcus multilocularis solute carrier family 22 0.0031 0.0201 0.0345
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.5834 1
Brugia malayi Sugar transporter family protein 0.0031 0.0201 0.0894
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0214 0.0948
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0052 0.0231
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0201 0.0894
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0031 0.0201 0.0345
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0894
Entamoeba histolytica protein kinase, putative 0.0068 0.0597 1
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Plasmodium vivax calcium-dependent protein kinase, putative 0.0068 0.0597 0.0597
Schistosoma mansoni glucose transport protein 0.0223 0.2253 1
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0031 0.0201 0.2874
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0042 0.0318 0.5469
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0223 0.2253 0.3863
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0031 0.0201 0.6328
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0068 0.0597 0.0597
Schistosoma mansoni serine/threonine protein kinase 0.0068 0.0597 0.2648
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0068 0.0597 0.1023
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0067 0.0582 0.2583
Echinococcus multilocularis solute carrier family 22 0.0031 0.0201 0.0345
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0068 0.0597 0.1023
Echinococcus granulosus calcium dependent protein kinase 0.0064 0.0552 0.0946
Schistosoma mansoni protein kinase 0.0068 0.0597 0.2648
Plasmodium falciparum lysine--tRNA ligase 0.005 0.0399 0.0399
Brugia malayi major facilitator superfamily protein 0.0031 0.0201 0.0894
Toxoplasma gondii sugar transporter ST2 0.0031 0.0201 0.0305
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0031 0.0201 0.5052
Trypanosoma brucei glucose transporter, putative 0.0069 0.0606 0.8651
Trypanosoma brucei glucose transporter, putative 0.0069 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0031 0.0201 0.6328
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0894
Echinococcus multilocularis musashi 0.0033 0.0214 0.0366
Leishmania major glucose transporter/membrane transporter D2, putative 0.0069 0.0606 0.8651
Loa Loa (eye worm) hypothetical protein 0.0054 0.0448 0.1987
Toxoplasma gondii sugar transporter ST1 0.0031 0.0201 0.0305
Giardia lamblia Sugar-proton symporter 0.0031 0.0201 0.346
Onchocerca volvulus 0.0033 0.0214 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0894
Chlamydia trachomatis proline--tRNA ligase 0.0024 0.0119 0.2978
Brugia malayi Cam kinase protein 1 0.0068 0.0597 0.2648
Echinococcus granulosus neuropeptide s receptor 0.0558 0.5834 1
Echinococcus granulosus General substrate transporter 0.0192 0.1918 0.3287
Schistosoma mansoni protein kinase 0.0068 0.0597 0.2648
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0894
Plasmodium falciparum mitogen-activated protein kinase 2 0.0361 0.3724 0.3724
Toxoplasma gondii facilitative glucose transporter GT1 0.0223 0.2253 0.3408
Echinococcus granulosus lamin 0.0033 0.0214 0.0366
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Schistosoma mansoni lysyl-tRNA synthetase 0.005 0.0399 0.1769
Echinococcus granulosus Sugar transporter ERD6 protein 0.0031 0.0201 0.0345
Echinococcus granulosus lamin dm0 0.0033 0.0214 0.0366
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.005 0.0399 0.1769
Trypanosoma cruzi sugar transporter, putative 0.0031 0.0201 0.2874
Echinococcus granulosus solute carrier family 22 0.0031 0.0201 0.0345
Plasmodium falciparum hexose transporter 0.0223 0.2253 0.2253
Echinococcus multilocularis lamin 0.0033 0.0214 0.0366
Plasmodium falciparum calcium-dependent protein kinase 1 0.0068 0.0597 0.0597
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0052 0.0231
Echinococcus multilocularis solute carrier family 22 0.0031 0.0201 0.0345
Loa Loa (eye worm) major facilitator superfamily transporter 0.0031 0.0201 0.0894
Echinococcus granulosus intermediate filament protein 0.0033 0.0214 0.0366
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0069 0.0606 0.269
Entamoeba histolytica protein kinase, putative 0.0068 0.0597 1
Plasmodium falciparum protein kinase 7 0.0631 0.6612 0.6612
Brugia malayi intermediate filament protein 0.0033 0.0214 0.0948
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0223 0.2253 0.3863
Loa Loa (eye worm) hypothetical protein 0.0068 0.0597 0.2648
Trypanosoma cruzi glucose transporter, putative 0.0031 0.0201 0.2874
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0034 0.0058
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0068 0.0597 0.1023
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0042 0.0318 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0068 0.0597 0.1023
Trypanosoma cruzi hexose transporter, putative 0.0069 0.0606 0.8651
Trypanosoma brucei glucose transporter, putative 0.0069 0.0606 0.8651
Giardia lamblia Hexose transporter 0.0031 0.0201 0.346
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.5834 1
Loa Loa (eye worm) major facilitator superfamily transporter 0.0031 0.0201 0.0894
Toxoplasma gondii transporter, major facilitator family protein 0.0031 0.0201 0.0305
Mycobacterium ulcerans sugar transporter 0.0031 0.0201 0.5052
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0078 0.0701 1
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0068 0.0597 0.0597
Plasmodium vivax lysine--tRNA ligase, putative 0.005 0.0399 0.0399
Entamoeba histolytica hypothetical protein 0.005 0.0399 0.6679
Giardia lamblia Lysyl-tRNA synthetase 0.005 0.0399 0.6849
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0078 0.0701 1
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0078 0.0701 0.106
Leishmania major glucose transporter, lmgt2 0.0069 0.0606 0.8651
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0078 0.0701 1
Brugia malayi major facilitator superfamily protein 0.0031 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Schistosoma mansoni lysyl-tRNA synthetase 0.005 0.0399 0.1769
Treponema pallidum prolyl-tRNA synthetase 0.0024 0.0119 1
Echinococcus multilocularis lysyl tRNA synthetase 0.005 0.0399 0.0683
Schistosoma mansoni protein kinase 0.0068 0.0597 0.2648
Schistosoma mansoni sugar transporter 0.0031 0.0201 0.0894
Leishmania major glucose transporter, lmgt3 0.0069 0.0606 0.8651
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.005 0.0399 0.6849
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0015 0.0027 0.0121
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.005 0.0399 0.5689
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0606 0.269
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0894
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0031 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Echinococcus multilocularis calcium dependent protein kinase 0.0064 0.0552 0.0946
Trypanosoma brucei glucose transporter 2A 0.0069 0.0606 0.8651
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0031 0.0201 0.5052
Trypanosoma brucei glucose transporter 1E 0.0069 0.0606 0.8651
Schistosoma mansoni glucose transport protein 0.0223 0.2253 1
Trichomonas vaginalis glucose transporter, putative 0.0069 0.0606 0.269
Schistosoma mansoni lamin 0.0033 0.0214 0.0948
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0044 0.0333 0.1477
Brugia malayi Sugar transporter family protein 0.0031 0.0201 0.0894
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0068 0.0597 0.2648
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Trypanosoma brucei sugar transporter, putative 0.0031 0.0201 0.2874
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0031 0.0201 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0069 0.0606 0.8651
Schistosoma mansoni sugar transporter 0.0031 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0894
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0034 0.0058
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Echinococcus granulosus lysyl tRNA synthetase 0.005 0.0399 0.0683
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0016 0.0034 0.0149
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Echinococcus multilocularis synaptic vesicle 2 protein 0.0031 0.0201 0.0345
Trypanosoma brucei glucose transporter, putative 0.0069 0.0606 0.8651
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0067 0.0582 0.9752
Brugia malayi hypothetical protein 0.0031 0.0201 0.0894
Trichomonas vaginalis sugar transport protein, putative 0.0031 0.0201 0.0894
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0042 0.0318 1
Chlamydia trachomatis lysine--tRNA ligase 0.005 0.0399 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.005 0.0399 1
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0067 0.0582 0.0998
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0068 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0894
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0067 0.0582 0.2583
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0214 0.0948
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0068 0.0597 0.1023
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0223 0.2253 0.3863
Trichomonas vaginalis CAMK family protein kinase 0.0068 0.0597 0.2648
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0033 0.0214 0.0948
Brugia malayi hypothetical protein 0.0031 0.0201 0.0894
Schistosoma mansoni lamin 0.0033 0.0214 0.0948
Schistosoma mansoni sugar transporter 0.0031 0.0201 0.0894
Mycobacterium ulcerans integral membrane transport protein 0.0031 0.0201 0.5052
Loa Loa (eye worm) hypothetical protein 0.0067 0.0582 0.2583
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Giardia lamblia Prolyl-tRNA synthetase 0.0067 0.0582 1
Plasmodium vivax sugar transporter, putative 0.0031 0.0201 0.0201
Leishmania major myo-inositol/proton symporter (MIT) 0.0031 0.0201 0.2874
Trichomonas vaginalis glucose transporter, putative 0.0069 0.0606 0.269
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0201 0.0894
Schistosoma mansoni intermediate filament proteins 0.0033 0.0214 0.0948
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Trypanosoma cruzi hexose transporter, putative 0.0069 0.0606 0.8651
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0606 0.269
Trypanosoma brucei glucose transporter, putative 0.0069 0.0606 0.8651
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0361 0.3724 0.5632
Toxoplasma gondii protein kinase, putative 0.0631 0.6612 1
Trypanosoma brucei glucose transporter, putative 0.0069 0.0606 0.8651
Echinococcus granulosus synaptic vesicle 2 protein 0.0031 0.0201 0.0345
Schistosoma mansoni sugar transporter 0.0031 0.0201 0.0894
Plasmodium falciparum proline--tRNA ligase 0.0078 0.0701 0.0701
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0201 0.0894
Trypanosoma cruzi hexose transporter 0.0069 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0069 0.0606 0.269
Trichomonas vaginalis conserved hypothetical protein 0.0223 0.2253 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0361 0.3724 0.3724
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Brugia malayi Major Facilitator Superfamily protein 0.0031 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0015 0.0027 0.0121
Trypanosoma cruzi hexose transporter, putative 0.0038 0.027 0.386
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0078 0.0701 1
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0894
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0067 0.0582 0.2583
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0223 0.2253 0.3863
Trypanosoma brucei THT1 - hexose transporter, putative 0.0069 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0068 0.0597 0.0903
Leishmania major glucose transporter, lmgt1 0.0069 0.0606 0.8651
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.005 0.0399 0.5689
Echinococcus multilocularis solute carrier family 22 0.0031 0.0201 0.0345
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0031 0.0201 0.0201
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0068 0.0597 0.1023
Echinococcus multilocularis lamin dm0 0.0033 0.0214 0.0366
Schistosoma mansoni hypothetical protein 0.0223 0.2253 1
Toxoplasma gondii lysine-tRNA ligase 0.005 0.0399 0.0603
Loa Loa (eye worm) hypothetical protein 0.0032 0.0207 0.092
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Brugia malayi Major Facilitator Superfamily protein 0.0031 0.0201 0.0894
Brugia malayi Major Facilitator Superfamily protein 0.0031 0.0201 0.0894
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0214 0.0948
Plasmodium falciparum calcium-dependent protein kinase 3 0.0068 0.0597 0.0597
Plasmodium falciparum calcium-dependent protein kinase 5 0.0068 0.0597 0.0597
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0223 0.2253 0.3863
Leishmania major protein kinase, putative 0.0068 0.0597 0.8517
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0067 0.0582 0.0998
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.5834 1
Trichomonas vaginalis sugar transporter, putative 0.0069 0.0606 0.269
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0024 0.0119 0.2978
Loa Loa (eye worm) sugar transporter 0.0031 0.0201 0.0894
Mycobacterium ulcerans lysyl-tRNA synthetase 0.005 0.0399 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0582 0.2583
Trypanosoma brucei glucose transporter, putative 0.0069 0.0606 0.8651
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.005 0.0399 0.1769
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0223 0.2253 0.3863
Brugia malayi Sugar transporter family protein 0.0223 0.2253 1
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0068 0.0597 0.0903
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0068 0.0597 0.1023
Plasmodium falciparum calcium-dependent protein kinase 4 0.0068 0.0597 0.0597
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0223 0.2253 0.3863
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0894
Onchocerca volvulus 0.0033 0.0214 1
Toxoplasma gondii sugar transporter ST3 0.0031 0.0201 0.0305
Plasmodium vivax proline--tRNA ligase, putative 0.0078 0.0701 0.0701
Trypanosoma cruzi hexose transporter, putative 0.0069 0.0606 0.8651
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0078 0.0701 1
Brugia malayi lysyl-tRNA synthetase 0.005 0.0399 0.1769
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0068 0.0597 0.2648
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0067 0.0582 1
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0068 0.0597 0.0903
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0068 0.0597 0.2648
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0067 0.0582 0.2583

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.09 uM Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) 1.0939 uM ST_JUDE: Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
EC50 (functional) = 3.34 uM Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) 3.3444 uM ST_JUDE: Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
Percent growth inhibition (functional) = 86.7 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye Saint Jude. 20485428
Percent growth inhibition (functional) = 93.5 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye Saint Jude. 20485428
Potency (functional) 0.7375 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23 20485428

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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