Detailed information for compound 166440

Basic information

Technical information
  • TDR Targets ID: 166440
  • Name: 8-[(4-phenylphenyl)sulfinylmethyl]-1-azabicyc lo[2.2.2]octan-8-ol
  • MW: 341.467 | Formula: C20H23NO2S
  • H donors: 1 H acceptors: 2 LogP: 3.81 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1(CN2CCC1CC2)C[S+](c1ccc(cc1)c1ccccc1)[O-]
  • InChi: 1S/C20H23NO2S/c22-20(14-21-12-10-18(20)11-13-21)15-24(23)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18,22H,10-15H2
  • InChiKey: QMSCSKLVZKGITR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(4-phenylphenyl)sulfinylmethyl]quinuclidin-3-ol
  • 3-[(4-phenylphenyl)sulfinylmethyl]-3-quinuclidinol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Squalene synthetase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Trypanosoma congolense squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Candida albicans squalene synthase similar to S. cerevisiae ERG9 (YHR190W) involved in ergosterol biosynthesis Get druggable targets OG5_129470 All targets in OG5_129470
Trypanosoma brucei squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Candida albicans squalene synthase similar to S. cerevisiae ERG9 (YHR190W) involved in ergosterol biosynthesis Get druggable targets OG5_129470 All targets in OG5_129470
Leishmania mexicana farnesyltransferase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Leishmania infantum squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Leishmania major squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Trypanosoma cruzi squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Trypanosoma congolense squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Trypanosoma brucei gambiense farnesyltransferase, putative,squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Leishmania donovani farnesyltransferase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Trypanosoma cruzi squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Leishmania braziliensis squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
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
Schistosoma mansoni sugar transporter 0.0016 0.0201 0.0894
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0016 0.0201 0.0201
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0021 0.0318 0.17
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0606 0.0962
Trypanosoma brucei glucose transporter 1E 0.0035 0.0606 0.0962
Trypanosoma brucei glucose transporter, putative 0.0035 0.0606 0.0962
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0016 0.0201 0.1076
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0399 0.1769
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Leishmania major protein kinase, putative 0.0034 0.0597 0.0947
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0016 0.0201 0.0894
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0034 0.0597 0.0903
Giardia lamblia Prolyl-tRNA synthetase 0.0034 0.0582 1
Schistosoma mansoni sugar transporter 0.0016 0.0201 0.0894
Mycobacterium ulcerans sugar transporter 0.0016 0.0201 0.1076
Echinococcus granulosus solute carrier family 22 0.0016 0.0201 0.0894
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0606 0.0962
Echinococcus multilocularis lysyl tRNA synthetase 0.0025 0.0399 0.1769
Trichomonas vaginalis CAMK family protein kinase 0.0034 0.0597 0.2648
Trypanosoma cruzi glucose transporter, putative 0.0016 0.0201 0.0319
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0894
Plasmodium falciparum calcium-dependent protein kinase 2 0.0034 0.0597 0.0597
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0597 0.2648
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0034 0.0597 0.0947
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0034 0.0597 0.2648
Plasmodium vivax sugar transporter, putative 0.0016 0.0201 0.0201
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0016 0.0201 1
Schistosoma mansoni glucose transport protein 0.0112 0.2253 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Schistosoma mansoni protein kinase 0.0034 0.0597 0.2648
Loa Loa (eye worm) sugar transporter 0.0016 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0894
Plasmodium falciparum lysine--tRNA ligase 0.0025 0.0399 0.0399
Plasmodium vivax hexose transporter 0.0112 0.2253 0.2253
Echinococcus granulosus synaptic vesicle 2 protein 0.0016 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Brugia malayi hypothetical protein 0.0016 0.0201 0.0894
Trichomonas vaginalis glucose transporter, putative 0.0016 0.0201 0.0894
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0022 0.0333 0.1477
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Leishmania major squalene synthase, putative 0.0303 0.6304 1
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0606 0.0962
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Schistosoma mansoni protein kinase 0.0034 0.0597 0.2648
Entamoeba histolytica protein kinase, putative 0.0034 0.0597 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0582 0.2583
Echinococcus multilocularis solute carrier family 22 0.0016 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.2253 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0894
Plasmodium vivax CDK-related protein kinase 6, putative 0.0476 1 1
Mycobacterium ulcerans integral membrane transport protein 0.0016 0.0201 0.1076
Brugia malayi major facilitator superfamily protein 0.0016 0.0201 0.0894
Echinococcus granulosus General substrate transporter 0.0096 0.1918 0.851
Brugia malayi hypothetical protein 0.0016 0.0201 0.0894
Trichomonas vaginalis sugar transport protein, putative 0.0016 0.0201 0.0894
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0112 0.2253 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Leishmania major glucose transporter, lmgt1 0.0035 0.0606 0.0962
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.2253 1
Echinococcus granulosus Sugar transporter ERD6 protein 0.0016 0.0201 0.0894
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0016 0.0201 0.1076
Giardia lamblia Hexose transporter 0.0016 0.0201 0.346
Treponema pallidum prolyl-tRNA synthetase 0.0012 0.0119 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Loa Loa (eye worm) sugar transporter 0.0112 0.2253 1
Chlamydia trachomatis lysine--tRNA ligase 0.0025 0.0399 1
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0034 0.0582 0.2583
Plasmodium vivax calcium-dependent protein kinase, putative 0.0034 0.0597 0.0597
Brugia malayi lysyl-tRNA synthetase 0.0025 0.0399 0.1769
Leishmania major glucose transporter, lmgt3 0.0035 0.0606 0.0962
Schistosoma mansoni hypothetical protein 0.0094 0.1872 0.8309
Leishmania major hypothetical protein, conserved 0.0094 0.1872 0.297
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0025 0.0399 0.6849
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0894
Leishmania major hypothetical protein, conserved 0.0016 0.0201 0.0319
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0034 0.0582 0.2583
Loa Loa (eye worm) hypothetical protein 0.0094 0.1872 0.8309
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Echinococcus granulosus lysyl tRNA synthetase 0.0025 0.0399 0.1769
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0016 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0606 0.269
Trypanosoma cruzi squalene synthase, putative 0.0303 0.6304 1
Leishmania major myo-inositol/proton symporter (MIT) 0.0016 0.0201 0.0319
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0039 0.0701 0.1112
Trypanosoma brucei glucose transporter, putative 0.0035 0.0606 0.0962
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0034 0.0582 0.9752
Brugia malayi Sugar transporter family protein 0.0112 0.2253 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0034 0.0597 0.2648
Brugia malayi hypothetical protein 0.0016 0.0201 0.0894
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.0094 0.1872 1
Toxoplasma gondii transporter, major facilitator family protein 0.0016 0.0201 0.0305
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0021 0.0318 0.17
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0034 0.0582 0.2583
Plasmodium falciparum protein kinase 7 0.0317 0.6612 0.6612
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0606 0.269
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0894
Entamoeba histolytica hypothetical protein 0.0025 0.0399 0.6679
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0027 0.0448 0.1987
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0201 0.0894
Schistosoma mansoni glucose transport protein 0.0112 0.2253 1
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0021 0.0318 0.5469
Brugia malayi Sugar transporter family protein 0.0016 0.0201 0.0894
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0597 0.2648
Echinococcus multilocularis General substrate transporter 0.0096 0.1918 0.851
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0606 0.0962
Trypanosoma cruzi squalene synthase, putative 0.0303 0.6304 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0894
Schistosoma mansoni hypothetical protein 0.0112 0.2253 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0201 0.0894
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0201 0.0894
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0181 0.3724 0.3724
Schistosoma mansoni glucose transporter 0.0016 0.0201 0.0894
Brugia malayi major facilitator superfamily protein 0.0016 0.0201 0.0894
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0034 0.0597 0.2648
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0894
Trypanosoma brucei glucose transporter, putative 0.0035 0.0606 0.0962
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Plasmodium vivax proline--tRNA ligase, putative 0.0039 0.0701 0.0701
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0034 0.0597 0.2648
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0112 0.2253 1
Entamoeba histolytica protein kinase, putative 0.0034 0.0597 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0201 0.0894
Brugia malayi Cam kinase protein 1 0.0034 0.0597 0.2648
Schistosoma mansoni sugar transporter 0.0016 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Trypanosoma cruzi hexose transporter, putative 0.0019 0.027 0.0429
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0016 0.0201 0.1076
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0582 0.2583
Echinococcus multilocularis solute carrier family 22 0.0016 0.0201 0.0894
Plasmodium falciparum calcium-dependent protein kinase 3 0.0034 0.0597 0.0597
Plasmodium falciparum calcium-dependent protein kinase 4 0.0034 0.0597 0.0597
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0025 0.0399 0.0632
Plasmodium vivax lysine--tRNA ligase, putative 0.0025 0.0399 0.0399
Brugia malayi Sugar transporter family protein 0.0016 0.0201 0.0894
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0034 0.0582 0.2583
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Echinococcus multilocularis calcium dependent protein kinase 0.0032 0.0552 0.2448
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0025 0.0399 0.0632
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0894
Giardia lamblia Lysyl-tRNA synthetase 0.0025 0.0399 0.6849
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Trypanosoma brucei glucose transporter, putative 0.0035 0.0606 0.0962
Echinococcus multilocularis synaptic vesicle 2 protein 0.0016 0.0201 0.0894
Trichomonas vaginalis myo-inositol transporter, putative 0.0016 0.0201 0.0894
Trypanosoma brucei glucose transporter, putative 0.0035 0.0606 0.0962
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0016 0.0201 0.0319
Plasmodium falciparum hexose transporter 0.0112 0.2253 0.2253
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0039 0.0701 0.1112
Trypanosoma brucei glucose transporter, putative 0.0035 0.0606 0.0962
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0597 0.2648
Trypanosoma brucei glucose transporter 2A 0.0035 0.0606 0.0962
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0894
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0016 0.0201 0.1076
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0034 0.0582 0.2583
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0201 0.0894
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0025 0.0399 0.1769
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0012 0.0119 0.0634
Echinococcus multilocularis solute carrier family 22 0.0016 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0894
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0034 0.0597 0.0903
Schistosoma mansoni sugar transporter 0.0016 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0606 0.269
Leishmania major glucose transporter, lmgt2 0.0035 0.0606 0.0962
Toxoplasma gondii sugar transporter ST3 0.0016 0.0201 0.0305
Echinococcus granulosus solute carrier family 22 0.0016 0.0201 0.0894
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0034 0.0597 0.0597
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0701 0.1112
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0201 0.0894
Trypanosoma cruzi phytoene synthase, putative 0.0094 0.1872 0.297
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0399 0.1769
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0399 0.2129
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.0094 0.1872 1
Trichomonas vaginalis glucose transporter, putative 0.0035 0.0606 0.269
Plasmodium falciparum calcium-dependent protein kinase 5 0.0034 0.0597 0.0597
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0582 0.2583
Schistosoma mansoni protein kinase 0.0034 0.0597 0.2648
Plasmodium falciparum calcium-dependent protein kinase 1 0.0034 0.0597 0.0597
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0597 0.2648
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0597 0.2648
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.2253 1
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0606 0.269
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0034 0.0597 0.2648
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0034 0.0597 0.0903
Echinococcus multilocularis Squalene phytoene synthase 0.0094 0.1872 0.8309
Trypanosoma cruzi hexose transporter, putative 0.0016 0.0201 0.0319
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0025 0.0399 0.1769
Echinococcus granulosus calcium dependent protein kinase 0.0032 0.0552 0.2448
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0597 0.2648
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0894
Schistosoma mansoni glucose transport protein 0.0112 0.2253 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0112 0.2253 1
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0034 0.0597 0.0597
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Trypanosoma brucei glucose transporter, putative 0.0035 0.0606 0.0962
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0034 0.0582 0.2583
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0039 0.0701 0.106
Trypanosoma brucei squalene synthase, putative 0.0303 0.6304 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Giardia lamblia Sugar-proton symporter 0.0016 0.0201 0.346
Loa Loa (eye worm) hypothetical protein 0.0016 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Trypanosoma cruzi sugar transporter, putative 0.0016 0.0201 0.0319
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0597 0.2648
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0034 0.0597 0.0597
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.2253 1
Trypanosoma cruzi hexose transporter 0.0035 0.0606 0.0962
Trichomonas vaginalis glucose transporter, putative 0.0035 0.0606 0.269
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0034 0.0582 1
Leishmania major glucose transporter/membrane transporter D2, putative 0.0035 0.0606 0.0962
Trypanosoma brucei sugar transporter, putative 0.0016 0.0201 0.0319
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Toxoplasma gondii lysine-tRNA ligase 0.0025 0.0399 0.0603
Toxoplasma gondii facilitative glucose transporter GT1 0.0112 0.2253 0.3408
Toxoplasma gondii sugar transporter ST2 0.0016 0.0201 0.0305
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0606 0.269
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0399 0.2129
Echinococcus multilocularis solute carrier family 22 0.0016 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Mycobacterium ulcerans phytoene synthase, CrtB 0.0094 0.1872 1
Leishmania major lysyl-tRNA synthetase, putative 0.0025 0.0399 0.0632
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0201 0.0894
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0112 0.2253 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0597 0.2648
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0606 0.0962
Echinococcus granulosus solute carrier family 22 0.0016 0.0201 0.0894
Echinococcus granulosus solute carrier family 22 0.0016 0.0201 0.0894
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0701 0.1112
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0606 0.0962
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0701 0.1112
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0181 0.3724 0.5632
Toxoplasma gondii protein kinase, putative 0.0317 0.6612 1
Chlamydia trachomatis proline--tRNA ligase 0.0012 0.0119 0.2978
Echinococcus granulosus Squalene phytoene synthase 0.0094 0.1872 0.8309
Toxoplasma gondii sugar transporter ST1 0.0016 0.0201 0.0305
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0014 0.016 0.0709
Plasmodium falciparum mitogen-activated protein kinase 2 0.0181 0.3724 0.3724
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.2253 1
Plasmodium falciparum proline--tRNA ligase 0.0039 0.0701 0.0701
Trypanosoma brucei glucose transporter, putative 0.0035 0.0606 0.0962

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 2.5 uM In vitro inhibition against rat microsomal squalene synthase (SS) ChEMBL. 8709131
IC50 (binding) > 2.5 uM In vitro inhibition against rat microsomal squalene synthase (SS) ChEMBL. 8709131

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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