Detailed information for compound 732231

Basic information

Technical information
  • TDR Targets ID: 732231
  • Name: 1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperi din-3-yl]-4-(4-fluorophenyl)piperazine
  • MW: 427.555 | Formula: C25H34FN3O2
  • H donors: 0 H acceptors: 0 LogP: 4.35 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(ccc1OC)CN1CCCC(C1)N1CCN(CC1)c1ccc(cc1)F
  • InChi: 1S/C25H34FN3O2/c1-3-31-25-17-20(6-11-24(25)30-2)18-27-12-4-5-23(19-27)29-15-13-28(14-16-29)22-9-7-21(26)8-10-22/h6-11,17,23H,3-5,12-16,18-19H2,1-2H3
  • InChiKey: JKLKPJRVNABPGT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-piperidyl]-4-(4-fluorophenyl)piperazine
  • 1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-piperidinyl]-4-(4-fluorophenyl)piperazine
  • 1-[1-(3-ethoxy-4-methoxy-benzyl)-3-piperidyl]-4-(4-fluorophenyl)piperazine
  • 1-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-3-yl]-4-(4-fluorophenyl)piperazine
  • 1-[1-(3-ethoxy-4-methoxybenzyl)piperidin-3-yl]-4-(4-fluorophenyl)piperazine
  • MLS001162894
  • SMR000495552

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0378 0.0452
Loa Loa (eye worm) hypothetical protein 0.0041 0.0289 0.1206
Onchocerca volvulus 0.003 0.016 0.0266
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.004 0.0277 0.0955
Plasmodium falciparum hexose transporter 0.0211 0.2221 0.2204
Brugia malayi hypothetical protein 0.003 0.016 0.0667
Schistosoma mansoni protein kinase 0.0065 0.0557 0.0666
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0065 0.0558 0.0537
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0211 0.2221 0.2654
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0089 0.2
Trypanosoma brucei glucose transporter 2A 0.0066 0.0567 0.8107
Brugia malayi Cam kinase protein 1 0.0065 0.0557 0.2322
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0065 0.0558 0.0617
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0065 0.0557 0.7919
Mycobacterium ulcerans hypothetical protein 0.0023 0.0089 0.2
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0065 0.0557 0.2322
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0065 0.0557 0.0666
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0063 0.0542 0.1473
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0211 0.2221 0.2654
Trypanosoma brucei THT1 - hexose transporter, putative 0.0066 0.0567 0.8107
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.003 0.016 0.5
Onchocerca volvulus 0.003 0.016 0.0266
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0289 0.0498
Onchocerca volvulus 0.003 0.016 0.0266
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0074 0.0662 1
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0342 0.3698 0.5495
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0065 0.0557 0.0666
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0089 0.0371
Echinococcus granulosus tar DNA binding protein 0.0063 0.0534 0.0638
Trypanosoma brucei THT1 - hexose transporter, putative 0.0066 0.0567 0.8107
Chlamydia trachomatis lysine--tRNA ligase 0.0047 0.0358 1
Schistosoma mansoni hypothetical protein 0.0211 0.2221 0.2654
Loa Loa (eye worm) hypothetical protein 0.0023 0.0089 0.0371
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0211 0.2221 0.2654
Loa Loa (eye worm) hypothetical protein 0.003 0.016 0.0667
Brugia malayi Sugar transporter family protein 0.003 0.016 0.0667
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0089 0.2
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0289 0.0498
Echinococcus granulosus solute carrier family 22 0.003 0.016 0.0191
Onchocerca volvulus 0.003 0.016 0.0266
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0065 0.0557 0.0666
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0534 0.0638
Trypanosoma cruzi hexose transporter, putative 0.0066 0.0567 0.8107
Brugia malayi Pre-SET motif family protein 0.0033 0.0193 0.0802
Toxoplasma gondii ABC1 family protein 0.0041 0.0289 0.0201
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0063 0.0542 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0227 0.24 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0383 0.1594
Onchocerca volvulus 0.003 0.016 0.0266
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0047 0.0358 0.5937
Leishmania major glucose transporter, lmgt2 0.0066 0.0567 0.8342
Plasmodium falciparum calcium-dependent protein kinase 4 0.0065 0.0558 0.0537
Chlamydia trachomatis proline--tRNA ligase 0.0022 0.0077 0.1642
Trichomonas vaginalis sugar transporter, putative 0.0066 0.0567 0.1566
Onchocerca volvulus 0.0259 0.2756 1
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0567 0.1566
Mycobacterium ulcerans sugar transporter 0.003 0.016 0.4111
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0193 0.023
Schistosoma mansoni lysyl-tRNA synthetase 0.0047 0.0358 0.0428
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0534 0.0638
Trypanosoma cruzi hexose transporter, putative 0.0066 0.0567 0.8107
Brugia malayi Major Facilitator Superfamily protein 0.003 0.016 0.0667
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.004 0.0277 0.0955
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0047 0.0358 1
Plasmodium falciparum mitogen-activated protein kinase 2 0.0342 0.3698 0.3684
Loa Loa (eye worm) sugar transporter 0.0211 0.2221 0.9255
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0026 0.0118 0.0493
Leishmania major glucose transporter, lmgt1 0.0066 0.0567 0.8342
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0074 0.0662 1
Echinococcus granulosus geminin 0.0205 0.2144 0.2563
Onchocerca volvulus 0.0041 0.0289 0.0751
Onchocerca volvulus 0.003 0.016 0.0266
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0089 0.2
Schistosoma mansoni sugar transporter 0.003 0.016 0.0191
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0074 0.0662 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0342 0.3698 0.3684
Echinococcus multilocularis microtubule associated protein 2 0.0753 0.8366 1
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0074 0.0662 0.0779
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0022 0.0039
Trypanosoma brucei glucose transporter, putative 0.0066 0.0567 0.8107
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0289 0.2579
Loa Loa (eye worm) hypothetical protein 0.0018 0.0022 0.0091
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0289 0.0997
Trypanosoma brucei glucose transporter, putative 0.0066 0.0567 0.8107
Schistosoma mansoni protein kinase 0.0065 0.0557 0.0666
Trichomonas vaginalis set domain proteins, putative 0.0259 0.2756 1
Onchocerca volvulus 0.003 0.016 0.0266
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0211 0.2221 0.2654
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0383 0.1594
Plasmodium vivax sugar transporter, putative 0.003 0.016 0.0139
Onchocerca volvulus 0.0033 0.0193 0.0388
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0289 0.0997
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0089 0.2
Schistosoma mansoni sugar transporter 0.003 0.016 0.0191
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0289 0.1206
Mycobacterium tuberculosis Conserved protein 0.0041 0.0289 0.0997
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0193 0.023
Echinococcus multilocularis lysyl tRNA synthetase 0.0047 0.0358 0.0428
Entamoeba histolytica hypothetical protein 0.0047 0.0358 0.5748
Loa Loa (eye worm) hypothetical protein 0.003 0.016 0.0667
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0065 0.0557 0.2322
Loa Loa (eye worm) hypothetical protein 0.003 0.016 0.0667
Loa Loa (eye worm) hypothetical protein 0.0047 0.0358 0.1493
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.003 0.016 0.4111
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.0557 0.0666
Plasmodium falciparum calcium-dependent protein kinase 2 0.0065 0.0558 0.0537
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0211 0.2221 0.2654
Onchocerca volvulus Putative transporter 0.003 0.016 0.0266
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0074 0.0662 1
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0289 0.7957
Leishmania major glucose transporter, lmgt3 0.0066 0.0567 0.8342
Onchocerca volvulus 0.003 0.016 0.0266
Leishmania major lysyl-tRNA synthetase, putative 0.0047 0.0358 0.47
Loa Loa (eye worm) hypothetical protein 0.0018 0.0022 0.0091
Loa Loa (eye worm) hypothetical protein 0.0023 0.0089 0.0371
Leishmania major protein kinase, putative 0.0065 0.0557 0.8177
Echinococcus granulosus synaptic vesicle 2 protein 0.003 0.016 0.0191
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0205 0.0856
Mycobacterium tuberculosis Conserved protein 0.0041 0.0289 0.0997
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0063 0.0542 0.226
Giardia lamblia Prolyl-tRNA synthetase 0.0063 0.0542 1
Treponema pallidum prolyl-tRNA synthetase 0.0022 0.0077 0.5
Echinococcus multilocularis synaptic vesicle 2 protein 0.003 0.016 0.0191
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0193 0.023
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0065 0.0558 0.0617
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0089 0.028
Echinococcus multilocularis calcium dependent protein kinase 0.0061 0.0512 0.0612
Loa Loa (eye worm) hypothetical protein 0.003 0.016 0.0667
Onchocerca volvulus 0.0049 0.0378 0.1084
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0063 0.0542 0.0648
Loa Loa (eye worm) hypothetical protein 0.0065 0.0557 0.2322
Brugia malayi Major Facilitator Superfamily protein 0.003 0.016 0.0667
Loa Loa (eye worm) beta-lactamase 0.0041 0.0289 0.1206
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0065 0.0557 0.0666
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.003 0.016 0.0139
Loa Loa (eye worm) hypothetical protein 0.0018 0.0022 0.0091
Mycobacterium ulcerans beta-lactamase 0.0041 0.0289 0.7957
Plasmodium vivax lysine--tRNA ligase, putative 0.0047 0.0358 0.0337
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0065 0.0558 0.0537
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0193 0.005
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0534 0.0638
Plasmodium falciparum lysine--tRNA ligase 0.0047 0.0358 0.0337
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0289 0.0997
Trypanosoma brucei glucose transporter, putative 0.0066 0.0567 0.8107
Onchocerca volvulus 0.0041 0.0289 0.0751
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0567 0.1566
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0063 0.0542 0.0648
Loa Loa (eye worm) hypothetical protein 0.003 0.016 0.0667
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0074 0.0662 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0211 0.2221 0.2654
Loa Loa (eye worm) hypothetical protein 0.003 0.016 0.0667
Brugia malayi Major Facilitator Superfamily protein 0.003 0.016 0.0667
Loa Loa (eye worm) hypothetical protein 0.003 0.016 0.0667
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0289 0.0997
Loa Loa (eye worm) hypothetical protein 0.0041 0.0289 0.1206
Echinococcus multilocularis solute carrier family 22 0.003 0.016 0.0191
Trichomonas vaginalis sugar transporter, putative 0.0066 0.0567 0.1566
Echinococcus multilocularis solute carrier family 22 0.003 0.016 0.0191
Trypanosoma brucei glucose transporter, putative 0.0066 0.0567 0.8107
Onchocerca volvulus 0.003 0.016 0.0266
Loa Loa (eye worm) RNA binding protein 0.0063 0.0534 0.2226
Echinococcus multilocularis Sugar transporter ERD6 protein 0.003 0.016 0.0191
Loa Loa (eye worm) hypothetical protein 0.0041 0.0289 0.1206
Loa Loa (eye worm) hypothetical protein 0.003 0.016 0.0667
Echinococcus granulosus Sugar transporter ERD6 protein 0.003 0.016 0.0191
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0063 0.0542 0.0648
Loa Loa (eye worm) hypothetical protein 0.0018 0.0022 0.0091
Loa Loa (eye worm) hypothetical protein 0.003 0.016 0.0667
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0089 0.2
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0534 0.2226
Echinococcus granulosus solute carrier family 22 0.003 0.016 0.0191
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0193 0.023
Schistosoma mansoni hypothetical protein 0.0205 0.2144 0.2563
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.003 0.016 0.4111
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.003 0.016 0.0534
Onchocerca volvulus 0.003 0.016 0.0266
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0022 0.0077 0.1642
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0289 0.2579
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0289 0.442
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0534 0.2226
Plasmodium falciparum proline--tRNA ligase 0.0074 0.0662 0.0641
Leishmania major glucose transporter/membrane transporter D2, putative 0.0066 0.0567 0.8342
Trypanosoma cruzi hexose transporter 0.0066 0.0567 0.8107
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0289 0.0997
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0534 0.0638
Echinococcus granulosus solute carrier family 22 0.003 0.016 0.0191
Brugia malayi hypothetical protein 0.003 0.016 0.0667
Schistosoma mansoni glucose transport protein 0.0211 0.2221 0.2654
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0065 0.0557 0.0666
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0047 0.0358 0.0763
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0289 0.1206
Loa Loa (eye worm) hypothetical protein 0.0041 0.0289 0.1206
Loa Loa (eye worm) hypothetical protein 0.003 0.016 0.0667
Schistosoma mansoni hypothetical protein 0.0205 0.2144 0.2563
Loa Loa (eye worm) hypothetical protein 0.0063 0.0542 0.226
Trypanosoma brucei glucose transporter, putative 0.0066 0.0567 0.8107
Echinococcus multilocularis geminin 0.0205 0.2144 0.2563
Loa Loa (eye worm) hypothetical protein 0.0018 0.0022 0.0091
Loa Loa (eye worm) hypothetical protein 0.0063 0.0542 0.226
Brugia malayi RNA binding protein 0.0063 0.0534 0.2226
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0193 0.023
Plasmodium vivax calcium-dependent protein kinase, putative 0.0065 0.0558 0.0537
Schistosoma mansoni sugar transporter 0.003 0.016 0.0191
Leishmania major hypothetical protein, conserved 0.003 0.016 0.124
Giardia lamblia Lysyl-tRNA synthetase 0.0047 0.0358 0.5182
Brugia malayi Sugar transporter family protein 0.0211 0.2221 0.9255
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.003 0.016 0.0534
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0289 0.0346
Plasmodium falciparum calcium-dependent protein kinase 1 0.0065 0.0558 0.0537
Echinococcus multilocularis General substrate transporter 0.0182 0.1884 0.2251
Trypanosoma brucei glucose transporter, putative 0.0066 0.0567 0.8107
Echinococcus granulosus microtubule associated protein 2 0.0753 0.8366 1
Trichomonas vaginalis glucose transporter, putative 0.0066 0.0567 0.1566
Trichomonas vaginalis esterase, putative 0.0041 0.0289 0.0498
Loa Loa (eye worm) hypothetical protein 0.0052 0.0407 0.1698
Loa Loa (eye worm) sugar transporter 0.003 0.016 0.0667
Trypanosoma cruzi hexose transporter, putative 0.0066 0.0567 0.8107
Mycobacterium ulcerans hypothetical protein 0.0041 0.0289 0.7957
Schistosoma mansoni sugar transporter 0.003 0.016 0.0191
Loa Loa (eye worm) hypothetical protein 0.0023 0.0089 0.0371
Schistosoma mansoni microtubule-associated protein tau 0.0753 0.8366 1
Entamoeba histolytica protein kinase, putative 0.0065 0.0557 1
Onchocerca volvulus 0.003 0.016 0.0266
Loa Loa (eye worm) hypothetical protein 0.0049 0.0378 0.1576
Mycobacterium leprae Probable lipase LipE 0.0041 0.0289 0.442
Echinococcus granulosus General substrate transporter 0.0182 0.1884 0.2251
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0289 0.0498
Echinococcus granulosus tumor protein p63 0.0334 0.3616 0.4322
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0047 0.0358 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0089 0.0371
Echinococcus granulosus lysyl tRNA synthetase 0.0047 0.0358 0.0428
Trichomonas vaginalis conserved hypothetical protein 0.0211 0.2221 0.794
Echinococcus granulosus solute carrier family 22 0.003 0.016 0.0191
Brugia malayi beta-lactamase family protein 0.0041 0.0289 0.1206
Toxoplasma gondii protein kinase, putative 0.0597 0.6598 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0211 0.2221 0.2654
Trypanosoma brucei THT1 - hexose transporter, putative 0.0066 0.0567 0.8107
Loa Loa (eye worm) hypothetical protein 0.003 0.016 0.0667
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0065 0.0557 0.2322
Mycobacterium ulcerans integral membrane transport protein 0.003 0.016 0.4111
Loa Loa (eye worm) hypothetical protein 0.0033 0.0193 0.0802
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0047 0.0358 0.395
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0211 0.2221 0.2654
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0289 0.0346
Loa Loa (eye worm) hypothetical protein 0.003 0.016 0.0667
Mycobacterium tuberculosis Conserved protein 0.0041 0.0289 0.0997
Brugia malayi TAR-binding protein 0.0063 0.0534 0.2226
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0534 0.2226
Schistosoma mansoni lysyl-tRNA synthetase 0.0047 0.0358 0.0428
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0063 0.0542 0.226
Trichomonas vaginalis glucose transporter, putative 0.0066 0.0567 0.1566
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0289 0.0997
Loa Loa (eye worm) hypothetical protein 0.0041 0.0289 0.1206
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0193 0.023
Loa Loa (eye worm) hypothetical protein 0.003 0.016 0.0667
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0534 0.0638
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0065 0.0557 0.0666
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0089 0.2
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0179 0.0214
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0063 0.0542 0.9682
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0289 0.0997
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0383 0.1594
Brugia malayi major facilitator superfamily protein 0.003 0.016 0.0667
Plasmodium vivax proline--tRNA ligase, putative 0.0074 0.0662 0.0641
Mycobacterium ulcerans lipase LipD 0.0041 0.0289 0.7957
Trichomonas vaginalis sugar transporter, putative 0.0066 0.0567 0.1566
Trypanosoma brucei glucose transporter, putative 0.0066 0.0567 0.8107
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0047 0.0358 0.395
Brugia malayi beta-lactamase family protein 0.0041 0.0289 0.1206
Brugia malayi Sugar transporter family protein 0.003 0.016 0.0667
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0289 0.2579
Schistosoma mansoni glucose transport protein 0.0211 0.2221 0.2654
Echinococcus granulosus calcium dependent protein kinase 0.0061 0.0512 0.0612
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0289 0.7957
Brugia malayi beta-lactamase 0.0041 0.0289 0.1206
Plasmodium falciparum calcium-dependent protein kinase 5 0.0065 0.0558 0.0537
Onchocerca volvulus 0.003 0.016 0.0266
Loa Loa (eye worm) major facilitator superfamily transporter 0.003 0.016 0.0667
Brugia malayi major facilitator superfamily protein 0.003 0.016 0.0667
Plasmodium vivax hexose transporter 0.0211 0.2221 0.2204
Trypanosoma cruzi hexose transporter, putative 0.0036 0.0229 0.1383
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0065 0.0557 0.0666
Onchocerca volvulus 0.0041 0.0289 0.0751
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0534 0.0638
Plasmodium falciparum calcium-dependent protein kinase 3 0.0065 0.0558 0.0537
Entamoeba histolytica protein kinase, putative 0.0065 0.0557 1
Loa Loa (eye worm) hypothetical protein 0.003 0.016 0.0667
Loa Loa (eye worm) hypothetical protein 0.0041 0.0289 0.1206
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0065 0.0557 0.0666
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.004 0.0277 0.4157
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0041 0.0292 0.0509
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0089 0.0371
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0089 0.2
Brugia malayi Pre-SET motif family protein 0.0227 0.24 1
Onchocerca volvulus 0.003 0.016 0.0266
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0289 0.0498
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0065 0.0558 0.0537
Loa Loa (eye worm) hypothetical protein 0.003 0.016 0.0667
Loa Loa (eye worm) major facilitator superfamily transporter 0.003 0.016 0.0667
Trichomonas vaginalis CAMK family protein kinase 0.0065 0.0557 0.153
Leishmania major myo-inositol/proton symporter (MIT) 0.003 0.016 0.124
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0065 0.0558 0.0617
Echinococcus multilocularis solute carrier family 22 0.003 0.016 0.0191
Trypanosoma brucei glucose transporter, putative 0.0066 0.0567 0.8107
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0193 0.023
Plasmodium falciparum protein kinase 7 0.0597 0.6598 0.659
Loa Loa (eye worm) hypothetical protein 0.0049 0.0383 0.1594
Plasmodium vivax SET domain protein, putative 0.0033 0.0193 0.0171
Schistosoma mansoni hypothetical protein 0.0034 0.0205 0.0246
Brugia malayi lysyl-tRNA synthetase 0.0047 0.0358 0.1493
Toxoplasma gondii lysine-tRNA ligase 0.0047 0.0358 0.0308
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0089 0.028
Leishmania major hypothetical protein, conserved 0.0041 0.0289 0.35
Schistosoma mansoni protein kinase 0.0065 0.0557 0.0666
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0063 0.0542 0.0648
Echinococcus multilocularis tumor protein p63 0.0334 0.3616 0.4322
Schistosoma mansoni glucose transporter 0.003 0.016 0.0191
Echinococcus multilocularis solute carrier family 22 0.003 0.016 0.0191
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0289 0.0346
Onchocerca volvulus 0.003 0.016 0.0266
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.003 0.016 0.0191
Trypanosoma brucei glucose transporter 1E 0.0066 0.0567 0.8107
Toxoplasma gondii facilitative glucose transporter GT1 0.0211 0.2221 0.3201
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0289 0.0268
Brugia malayi hypothetical protein 0.003 0.016 0.0667
Onchocerca volvulus 0.003 0.016 0.0266
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0263 0.2803 1
Onchocerca volvulus 0.003 0.016 0.0266
Loa Loa (eye worm) hypothetical protein 0.0034 0.0205 0.0856
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0289 0.0346
Schistosoma mansoni glucose transport protein 0.0211 0.2221 0.2654
Plasmodium vivax CDK-related protein kinase 6, putative 0.0897 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0289 0.0498

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.0418 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) 1.4581 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 (functional) 4.1095 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) = 50.1187 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) 70.7946 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] 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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