Detailed information for compound 794616

Basic information

Technical information
  • TDR Targets ID: 794616
  • Name: 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanone
  • MW: 207.244 | Formula: C12H14FNO
  • H donors: 0 H acceptors: 1 LogP: 2.32 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cc(ccc1N1CCCC1)C(=O)C
  • InChi: 1S/C12H14FNO/c1-9(15)10-4-5-12(11(13)8-10)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
  • InChiKey: GETWGIMLYQVKIA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3-fluoro-4-pyrrolidin-1-yl-phenyl)ethanone
  • 1-(3-fluoro-4-1-pyrrolidinylphenyl)ethanone
  • 1-(3-Fluoro-4-pyrrolidin-1-yl-phenyl)-ethanone
  • BAS 03154423
  • MLS000109368
  • SMR000105311
  • ZINC00139742
  • A2609/0110896

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Brugia malayi Sugar transporter family protein 0.0029 0.0534 0.1156
Toxoplasma gondii facilitative glucose transporter GT1 0.0209 0.4622 0.6991
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0399 0.0862
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Plasmodium vivax CDK-related protein kinase 6, putative 0.0446 1 1
Schistosoma mansoni sugar transporter 0.0029 0.0534 0.1156
Trypanosoma cruzi hexose transporter, putative 0.0065 0.1341 1
Echinococcus granulosus solute carrier family 22 0.0029 0.0534 0.1156
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0029 0.0534 0.0534
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0854 1
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.017 0.3724 0.5632
Loa Loa (eye worm) sugar transporter 0.0209 0.4622 1
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Schistosoma mansoni sugar transporter 0.0029 0.0534 0.1156
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Giardia lamblia Hexose transporter 0.0029 0.0534 0.9183
Entamoeba histolytica protein kinase, putative 0.0032 0.0597 1
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0701 0.5226
Echinococcus granulosus solute carrier family 22 0.0029 0.0534 0.1156
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0029 0.0534 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0534 0.1156
Echinococcus granulosus calcium dependent protein kinase 0.003 0.0552 0.1193
Plasmodium falciparum calcium-dependent protein kinase 1 0.0032 0.0597 0.0597
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0029 0.0534 0.3986
Schistosoma mansoni glucose transport protein 0.0209 0.4622 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0597 0.1291
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0854 0.6372
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Loa Loa (eye worm) hypothetical protein 0.0043 0.0854 0.1848
Trichomonas vaginalis glucose transporter, putative 0.0029 0.0534 0.1156
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0399 0.0862
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0854 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0854 0.1848
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0209 0.4622 1
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0029 0.0534 0.6256
Brugia malayi hypothetical protein 0.0029 0.0534 0.1156
Onchocerca volvulus 0.0043 0.0854 1
Echinococcus granulosus synaptic vesicle 2 protein 0.0029 0.0534 0.1156
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0854 0.1382
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0854 0.1382
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0701 0.5226
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0029 0.0534 0.6256
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0318 0.0515
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0399 0.2973
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0854 0.1382
Loa Loa (eye worm) hypothetical protein 0.0029 0.0534 0.1156
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Echinococcus multilocularis solute carrier family 22 0.0029 0.0534 0.1156
Mycobacterium tuberculosis Conserved protein 0.0043 0.0854 0.1382
Echinococcus granulosus solute carrier family 22 0.0029 0.0534 0.1156
Plasmodium falciparum mitogen-activated protein kinase 2 0.017 0.3724 0.3724
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.0399 0.0603
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0032 0.0597 0.1291
Trypanosoma brucei glucose transporter 2A 0.0065 0.1341 1
Leishmania major glucose transporter, lmgt2 0.0065 0.1341 1
Echinococcus multilocularis solute carrier family 22 0.0029 0.0534 0.1156
Trypanosoma brucei glucose transporter, putative 0.0065 0.1341 1
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0318 0.3725
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0399 1
Echinococcus multilocularis solute carrier family 22 0.0029 0.0534 0.1156
Loa Loa (eye worm) hypothetical protein 0.0029 0.0534 0.1156
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0032 0.0597 0.0597
Mycobacterium ulcerans hypothetical protein 0.0043 0.0854 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0534 0.1156
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0032 0.0597 0.1291
Brugia malayi major facilitator superfamily protein 0.0029 0.0534 0.1156
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0032 0.0582 0.1259
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0013 0.016 0.0346
Mycobacterium tuberculosis Conserved protein 0.0043 0.0854 0.1382
Plasmodium falciparum calcium-dependent protein kinase 2 0.0032 0.0597 0.0597
Mycobacterium ulcerans lipase LipD 0.0043 0.0854 1
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0032 0.0582 0.1259
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0029 0.0534 0.0865
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Loa Loa (eye worm) hypothetical protein 0.0029 0.0534 0.1156
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0032 0.0597 0.1291
Plasmodium vivax sugar transporter, putative 0.0029 0.0534 0.0534
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0032 0.0597 0.0597
Plasmodium vivax calcium-dependent protein kinase, putative 0.0032 0.0597 0.0597
Toxoplasma gondii sugar transporter ST3 0.0029 0.0534 0.0808
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0011 0.0119 0.1389
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0209 0.4622 1
Toxoplasma gondii sugar transporter ST1 0.0029 0.0534 0.0808
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0032 0.0597 0.0597
Giardia lamblia Sugar-proton symporter 0.0029 0.0534 0.9183
Loa Loa (eye worm) hypothetical protein 0.0029 0.0534 0.1156
Loa Loa (eye worm) beta-lactamase 0.0043 0.0854 0.1848
Schistosoma mansoni hypothetical protein 0.0209 0.4622 1
Trichomonas vaginalis sugar transporter, putative 0.0065 0.1341 0.2901
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0854 0.1848
Chlamydia trachomatis proline--tRNA ligase 0.0011 0.0119 0.2978
Mycobacterium ulcerans integral membrane transport protein 0.0029 0.0534 0.6256
Schistosoma mansoni glucose transport protein 0.0209 0.4622 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.017 0.3724 0.3724
Schistosoma mansoni protein kinase 0.0032 0.0597 0.1291
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Loa Loa (eye worm) hypothetical protein 0.0029 0.0534 0.1156
Plasmodium falciparum calcium-dependent protein kinase 3 0.0032 0.0597 0.0597
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Trypanosoma cruzi hexose transporter, putative 0.0065 0.1341 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0854 0.6372
Plasmodium falciparum protein kinase 7 0.0297 0.6612 0.6612
Leishmania major hypothetical protein, conserved 0.0043 0.0854 0.6372
Loa Loa (eye worm) hypothetical protein 0.0026 0.0448 0.0969
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0854 0.1848
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Brugia malayi Cam kinase protein 1 0.0032 0.0597 0.1291
Onchocerca volvulus 0.0043 0.0854 1
Trypanosoma brucei glucose transporter, putative 0.0065 0.1341 1
Trypanosoma brucei glucose transporter, putative 0.0065 0.1341 1
Schistosoma mansoni sugar transporter 0.0029 0.0534 0.1156
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.6182 1
Plasmodium falciparum calcium-dependent protein kinase 5 0.0032 0.0597 0.0597
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0399 0.0399
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.4622 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0854 0.1848
Leishmania major hypothetical protein, conserved 0.0029 0.0534 0.3986
Brugia malayi lysyl-tRNA synthetase 0.0023 0.0399 0.0862
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.0399 0.2973
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0597 0.1291
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0597 0.1291
Leishmania major protein kinase, putative 0.0032 0.0597 0.4451
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.1341 0.2901
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0021 0.0333 0.072
Trichomonas vaginalis glucose transporter, putative 0.0065 0.1341 0.2901
Mycobacterium ulcerans beta-lactamase 0.0043 0.0854 1
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Schistosoma mansoni sugar transporter 0.0029 0.0534 0.1156
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Trypanosoma brucei glucose transporter, putative 0.0065 0.1341 1
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0399 0.4666
Toxoplasma gondii transporter, major facilitator family protein 0.0029 0.0534 0.0808
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0854 0.1848
Loa Loa (eye worm) hypothetical protein 0.0029 0.0534 0.1156
Toxoplasma gondii ABC1 family protein 0.0043 0.0854 0.1292
Loa Loa (eye worm) hypothetical protein 0.0043 0.0854 0.1848
Trichomonas vaginalis CAMK family protein kinase 0.0032 0.0597 0.1291
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0399 0.0862
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Loa Loa (eye worm) hypothetical protein 0.0032 0.0582 0.1259
Trichomonas vaginalis sugar transporter, putative 0.0065 0.1341 0.2901
Mycobacterium ulcerans sugar transporter 0.0029 0.0534 0.6256
Loa Loa (eye worm) major facilitator superfamily transporter 0.0029 0.0534 0.1156
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Brugia malayi Major Facilitator Superfamily protein 0.0029 0.0534 0.1156
Trypanosoma brucei glucose transporter, putative 0.0065 0.1341 1
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.0318 0.0515
Loa Loa (eye worm) hypothetical protein 0.0032 0.0597 0.1291
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0534 0.1156
Loa Loa (eye worm) hypothetical protein 0.0032 0.0582 0.1259
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Leishmania major glucose transporter/membrane transporter D2, putative 0.0065 0.1341 1
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Loa Loa (eye worm) hypothetical protein 0.0023 0.0399 0.0862
Loa Loa (eye worm) major facilitator superfamily transporter 0.0029 0.0534 0.1156
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0032 0.0597 0.0903
Schistosoma mansoni glucose transporter 0.0029 0.0534 0.1156
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0399 0.0399
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.0399 0.0862
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Mycobacterium leprae Probable lipase LipE 0.0043 0.0854 1
Brugia malayi Major Facilitator Superfamily protein 0.0029 0.0534 0.1156
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0032 0.0582 0.9752
Trypanosoma brucei THT1 - hexose transporter, putative 0.0065 0.1341 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0534 0.1156
Trypanosoma brucei glucose transporter 1E 0.0065 0.1341 1
Echinococcus granulosus General substrate transporter 0.018 0.3953 0.8553
Trypanosoma brucei THT1 - hexose transporter, putative 0.0065 0.1341 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0582 0.1259
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0032 0.0597 0.0903
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0854 0.1382
Trypanosoma cruzi glucose transporter, putative 0.0029 0.0534 0.3986
Trypanosoma brucei sugar transporter, putative 0.0029 0.0534 0.3986
Echinococcus multilocularis solute carrier family 22 0.0029 0.0534 0.1156
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0029 0.0534 0.1156
Entamoeba histolytica hypothetical protein 0.0023 0.0399 0.6679
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0037 0.0701 0.106
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0854 0.1382
Loa Loa (eye worm) hypothetical protein 0.0029 0.0534 0.1156
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0597 0.1291
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0672 0.5012
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0701 0.5226
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0029 0.0534 0.0865
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0032 0.0582 0.1259
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0032 0.0582 0.6812
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0032 0.0582 0.1259
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0534 0.1156
Brugia malayi beta-lactamase family protein 0.0043 0.0854 0.1848
Loa Loa (eye worm) hypothetical protein 0.0029 0.0534 0.1156
Echinococcus granulosus Sugar transporter ERD6 protein 0.0029 0.0534 0.1156
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0534 0.1156
Leishmania major glucose transporter, lmgt1 0.0065 0.1341 1
Trichomonas vaginalis myo-inositol transporter, putative 0.0029 0.0534 0.1156
Schistosoma mansoni protein kinase 0.0032 0.0597 0.1291
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0854 0.1848
Onchocerca volvulus 0.0043 0.0854 1
Trichomonas vaginalis esterase, putative 0.0043 0.0854 0.1848
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0209 0.4622 1
Brugia malayi hypothetical protein 0.0029 0.0534 0.1156
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Schistosoma mansoni protein kinase 0.0032 0.0597 0.1291
Leishmania major myo-inositol/proton symporter (MIT) 0.0029 0.0534 0.3986
Entamoeba histolytica protein kinase, putative 0.0032 0.0597 1
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0029 0.0534 0.1156
Loa Loa (eye worm) sugar transporter 0.0029 0.0534 0.1156
Plasmodium falciparum proline--tRNA ligase 0.0037 0.0701 0.0701
Trypanosoma cruzi sugar transporter, putative 0.0029 0.0534 0.3986
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.0399 0.2973
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0032 0.0597 0.4451
Trypanosoma cruzi hexose transporter 0.0065 0.1341 1
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Loa Loa (eye worm) hypothetical protein 0.0029 0.0534 0.1156
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0701 0.5226
Plasmodium vivax hexose transporter 0.0209 0.4622 0.4622
Loa Loa (eye worm) hypothetical protein 0.0043 0.0854 0.1848
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Trypanosoma brucei glucose transporter, putative 0.0065 0.1341 1
Trypanosoma brucei glucose transporter, putative 0.0065 0.1341 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0209 0.4622 1
Toxoplasma gondii protein kinase, putative 0.0297 0.6612 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0065 0.1341 1
Toxoplasma gondii sugar transporter ST2 0.0029 0.0534 0.0808
Trichomonas vaginalis sugar transport protein, putative 0.0029 0.0534 0.1156
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Loa Loa (eye worm) hypothetical protein 0.0029 0.0534 0.1156
Trichomonas vaginalis glucose transporter, putative 0.0065 0.1341 0.2901
Trichomonas vaginalis sugar transporter, putative 0.0065 0.1341 0.2901
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0854 0.1848
Brugia malayi Sugar transporter family protein 0.0209 0.4622 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0209 0.4622 1
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0597 0.1291
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0597 0.1291
Brugia malayi Major Facilitator Superfamily protein 0.0029 0.0534 0.1156
Brugia malayi major facilitator superfamily protein 0.0029 0.0534 0.1156
Echinococcus granulosus solute carrier family 22 0.0029 0.0534 0.1156
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0032 0.0597 0.0903
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0854 0.1848
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.0399 0.0862
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0854 0.1848
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0209 0.4622 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0854 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0582 0.1259
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0534 0.1156
Brugia malayi beta-lactamase 0.0043 0.0854 0.1848
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0854 0.1848
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0597 0.1291
Loa Loa (eye worm) hypothetical protein 0.0043 0.0854 0.1848
Echinococcus multilocularis synaptic vesicle 2 protein 0.0029 0.0534 0.1156
Brugia malayi hypothetical protein 0.0029 0.0534 0.1156
Plasmodium falciparum calcium-dependent protein kinase 4 0.0032 0.0597 0.0597
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0209 0.4622 1
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Loa Loa (eye worm) hypothetical protein 0.0029 0.0534 0.1156
Giardia lamblia Prolyl-tRNA synthetase 0.0032 0.0582 1
Plasmodium vivax proline--tRNA ligase, putative 0.0037 0.0701 0.0701
Echinococcus multilocularis calcium dependent protein kinase 0.003 0.0552 0.1193
Leishmania major glucose transporter, lmgt3 0.0065 0.1341 1
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0032 0.0597 0.1291
Treponema pallidum prolyl-tRNA synthetase 0.0011 0.0119 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0399 0.4666
Plasmodium falciparum hexose transporter 0.0209 0.4622 0.4622
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0209 0.4622 1
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0534 0.1156
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0854 0.1848
Schistosoma mansoni glucose transport protein 0.0209 0.4622 1
Trypanosoma brucei glucose transporter, putative 0.0065 0.1341 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0399 0.4666
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0534 0.1156
Loa Loa (eye worm) hypothetical protein 0.0043 0.0854 0.1848
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.1341 0.2901
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0597 0.1291
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0854 0.6372
Loa Loa (eye worm) hypothetical protein 0.0043 0.0854 0.1848
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0854 0.1382
Brugia malayi beta-lactamase family protein 0.0043 0.0854 0.1848
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0701 0.5226
Mycobacterium tuberculosis Conserved protein 0.0043 0.0854 0.1382
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0854 0.1382
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0854 0.0854
Echinococcus multilocularis General substrate transporter 0.018 0.3953 0.8553
Brugia malayi Sugar transporter family protein 0.0029 0.0534 0.1156
Loa Loa (eye worm) hypothetical protein 0.0029 0.0534 0.1156
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0032 0.0582 0.1259
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.0399 0.6849
Trypanosoma cruzi hexose transporter, putative 0.0065 0.1341 1
Trypanosoma cruzi hexose transporter, putative 0.0029 0.0534 0.3986

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.5623 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 11.6891 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) 20.5962 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) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (binding) = 28.1838 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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