Detailed information for compound 180871

Basic information

Technical information
  • TDR Targets ID: 180871
  • Name: 1,1,1-trifluoro-7-(7,8,9,10-tetrahydro-6H-cyc lohepta[b]quinolin-11-ylamino)heptane-2,2-dio l
  • MW: 396.446 | Formula: C21H27F3N2O2
  • H donors: 3 H acceptors: 3 LogP: 5.1 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(C(F)(F)F)(CCCCCNc1c2CCCCCc2nc2c1cccc2)O
  • InChi: 1S/C21H27F3N2O2/c22-21(23,24)20(27,28)13-7-2-8-14-25-19-15-9-3-1-4-11-17(15)26-18-12-6-5-10-16(18)19/h5-6,10,12,27-28H,1-4,7-9,11,13-14H2,(H,25,26)
  • InChiKey: NVOLHYFQYNFBIO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Torpedo californica Acetylcholinesterase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Acetylcholinesterase   586 aa 535 aa 31.4 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   586 aa 509 aa 24.8 %
Echinococcus granulosus neuroligin Acetylcholinesterase   586 aa 493 aa 21.5 %
Onchocerca volvulus Putative nuclear protein Acetylcholinesterase   586 aa 551 aa 40.7 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Acetylcholinesterase   586 aa 588 aa 28.1 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   586 aa 480 aa 24.6 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   586 aa 571 aa 25.0 %
Echinococcus multilocularis BC026374 protein (S09 family) Acetylcholinesterase   586 aa 643 aa 32.2 %
Onchocerca volvulus Carnitine O-palmitoyltransferase 2, mitochondrial homolog Acetylcholinesterase   586 aa 552 aa 37.7 %
Onchocerca volvulus Acetylcholinesterase   586 aa 564 aa 29.4 %
Echinococcus multilocularis neuroligin Acetylcholinesterase   586 aa 487 aa 23.0 %
Onchocerca volvulus Acetylcholinesterase   586 aa 612 aa 25.5 %
Schistosoma mansoni gliotactin Acetylcholinesterase   586 aa 474 aa 31.6 %
Schistosoma japonicum ko:K01050 cholinesterase [EC3.1.1.8], putative Acetylcholinesterase   586 aa 577 aa 33.6 %
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Acetylcholinesterase   586 aa 602 aa 24.4 %
Echinococcus granulosus BC026374 protein S09 family Acetylcholinesterase   586 aa 648 aa 32.6 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   586 aa 546 aa 29.3 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   586 aa 592 aa 28.0 %
Onchocerca volvulus Acetylcholinesterase   586 aa 562 aa 25.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis acetylcholinesterase 0.0123 0.2783 0.7073
Loa Loa (eye worm) hypothetical protein 0.0044 0.0863 0.0863
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0044 0.0863 0.1407
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0045 0.0113
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0666 0.2529
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0666 0.1693
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0109 0.2447 0.916
Loa Loa (eye worm) hypothetical protein 0.0017 0.0201 0.0201
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0044 0.0863 0.1407
Loa Loa (eye worm) hypothetical protein 0.0044 0.0863 0.0863
Echinococcus granulosus 6 phosphofructokinase 0.0109 0.2447 0.6218
Schistosoma mansoni neurotransmitter gated ion channel 0.0038 0.0708 0.18
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0666 0.179
Echinococcus granulosus glycine receptor subunit alpha 1 0.0082 0.1787 0.4542
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.2447 0.6218
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0082 0.1787 0.4542
Echinococcus granulosus glycine receptor subunit beta 0.0082 0.1787 0.4542
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0082 0.1787 0.4542
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0504 0.1847
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0624 0.2351
Brugia malayi phosphofructokinase 0.0109 0.2447 0.3988
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0038 0.0708 0.1154
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0041 0.0792 0.2798
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.2447 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0504 0.1847
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0038 0.0708 0.0708
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0038 0.0708 0.18
Brugia malayi Cation transporter family protein 0.0082 0.1787 0.2913
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0307 0.1021
Schistosoma mansoni pyruvate dehydrogenase 0.0111 0.2505 0.6366
Loa Loa (eye worm) hypothetical protein 0.0044 0.0863 0.0863
Brugia malayi beta-lactamase family protein 0.0036 0.0666 0.1086
Brugia malayi hypothetical protein 0.0038 0.0708 0.1154
Loa Loa (eye worm) hypothetical protein 0.0038 0.0708 0.0708
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0082 0.1787 0.2913
Loa Loa (eye worm) LGC-31 protein 0.0082 0.1787 0.1787
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0133 0.0803
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.5419 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0666 0.0755
Loa Loa (eye worm) hypothetical protein 0.0038 0.0708 0.0708
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0044 0.0863 0.1407
Schistosoma mansoni acetylcholine receptor subunit beta 0.0038 0.0708 0.18
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0041 0.0792 0.2798
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0082 0.1787 0.1787
Echinococcus multilocularis 6 phosphofructokinase 0.0109 0.2447 0.6218
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0021 0.0291 0.0739
Loa Loa (eye worm) carboxylesterase 0.0021 0.0291 0.0291
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0082 0.1787 0.4542
Echinococcus granulosus carboxylesterase 5A 0.0123 0.2783 0.7073
Loa Loa (eye worm) hypothetical protein 0.0038 0.0708 0.0708
Echinococcus multilocularis nAChR subunit 0.0044 0.0863 0.2194
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0504 0.303
Loa Loa (eye worm) hypothetical protein 0.0036 0.0666 0.0666
Loa Loa (eye worm) hypothetical protein 0.0044 0.0863 0.0863
Echinococcus multilocularis acetylcholinesterase 0.0123 0.2783 0.7073
Loa Loa (eye worm) hypothetical protein 0.0038 0.0708 0.0708
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0041 0.0792 0.4763
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0118 0.2666 0.6774
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0082 0.1787 0.4542
Onchocerca volvulus 0.0021 0.0291 0.0086
Loa Loa (eye worm) hypothetical protein 0.0123 0.2783 0.2783
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0118 0.2666 0.6774
Loa Loa (eye worm) hypothetical protein 0.0032 0.0564 0.0564
Plasmodium falciparum apurinic/apyrimidinic endonuclease Apn1, putative 0.0077 0.1662 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0048 0.0952 0.5727
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0666 0.2316
Echinococcus multilocularis glycine receptor subunit beta 0.0082 0.1787 0.4542
Loa Loa (eye worm) hypothetical protein 0.0038 0.0708 0.0708
Mycobacterium ulcerans 6-phosphofructokinase 0.0109 0.2447 1
Mycobacterium ulcerans endonuclease IV 0.0077 0.1662 0.638
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0082 0.1787 0.2913
Toxoplasma gondii endonuclease IV APN 0.0077 0.1662 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0863 0.0863
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0082 0.1787 0.1787
Echinococcus multilocularis geminin 0.017 0.3935 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0504 0.1847
Loa Loa (eye worm) GABA receptor subunit 0.0044 0.0863 0.0863
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0045 0.0113
Loa Loa (eye worm) hypothetical protein 0.0038 0.0708 0.0708
Brugia malayi hypothetical protein 0.0038 0.0708 0.1154
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0243 0.1465
Loa Loa (eye worm) acetylcholine receptor protein 0.0038 0.0708 0.0708
Loa Loa (eye worm) hypothetical protein 0.0021 0.0291 0.0291
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0021 0.0291 0.0739
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.2447 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0021 0.0291 0.0739
Schistosoma mansoni neurotransmitter gated ion channel 0.0044 0.0863 0.2194
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Mycobacterium ulcerans hypothetical protein 0.0036 0.0666 0.179
Echinococcus granulosus neuroligin 0.0021 0.0291 0.0739
Echinococcus multilocularis glycine receptor subunit beta 0.0082 0.1787 0.4542
Brugia malayi Carboxylesterase family protein 0.0123 0.2783 0.4537
Onchocerca volvulus 0.0082 0.1787 1
Leishmania major hypothetical protein, conserved 0.0036 0.0666 0.2316
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0082 0.1787 0.2913
Onchocerca volvulus 0.0082 0.1787 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0082 0.1787 0.2913
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Loa Loa (eye worm) hypothetical protein 0.026 0.6135 0.6135
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0082 0.1787 0.4542
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0038 0.0708 0.18
Toxoplasma gondii ABC1 family protein 0.0036 0.0666 0.4009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0708 0.0708
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0082 0.1787 0.4542
Mycobacterium ulcerans lipase LipD 0.0036 0.0666 0.179
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0504 0.1847
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0082 0.1787 0.4542
Loa Loa (eye worm) hypothetical protein 0.0021 0.0291 0.0291
Echinococcus granulosus glycine receptor subunit beta 0.0082 0.1787 0.4542
Loa Loa (eye worm) beta-lactamase 0.0036 0.0666 0.0666
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0109 0.2447 0.4219
Brugia malayi Cation transporter family protein 0.0082 0.1787 0.2913
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0082 0.1787 0.4542
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.0683 0.1113
Onchocerca volvulus 0.0044 0.0863 0.3878
Loa Loa (eye worm) RecQ helicase 0.0021 0.0307 0.0307
Loa Loa (eye worm) hypothetical protein 0.0021 0.0291 0.0291
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.2447 1
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.2447 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0863 0.0863
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0082 0.1787 0.4542
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.0683 0.1736
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0038 0.0708 0.18
Loa Loa (eye worm) acetylcholinesterase 1 0.0123 0.2783 0.2783
Onchocerca volvulus 0.0036 0.0666 0.2572
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.0683 0.1736
Loa Loa (eye worm) hypothetical protein 0.0123 0.2783 0.2783
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0044 0.0863 0.2194
Brugia malayi hypothetical protein 0.0038 0.0708 0.1154
Loa Loa (eye worm) hypothetical protein 0.0038 0.0708 0.0708
Loa Loa (eye worm) hypothetical protein 0.0044 0.0863 0.0863
Schistosoma mansoni acetylcholinesterase 0.0021 0.0291 0.0739
Brugia malayi 6-phosphofructokinase 0.0109 0.2447 0.3988
Loa Loa (eye worm) hypothetical protein 0.0021 0.0291 0.0291
Loa Loa (eye worm) phosphofructokinase 0.0109 0.2447 0.2447
Entamoeba histolytica hypothetical protein 0.0044 0.0863 0.3356
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0044 0.0863 0.1407
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0082 0.1787 0.4542
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0109 0.2447 1
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0504 0.303
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0666 0.2529
Schistosoma mansoni nAChR subunit 0.0082 0.1787 0.4542
Brugia malayi Cation transporter family protein 0.0082 0.1787 0.2913
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0082 0.1787 0.2913
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0082 0.1787 0.4542
Loa Loa (eye worm) hypothetical protein 0.0038 0.0708 0.0708
Onchocerca volvulus 0.0021 0.0291 0.0086
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.026 0.6135 1
Loa Loa (eye worm) carboxylesterase 0.0123 0.2783 0.2783
Brugia malayi Carboxylesterase family protein 0.0021 0.0291 0.0474
Schistosoma mansoni acetylcholine receptor-related 0.0038 0.0708 0.18
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0666 0.2529
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0666 0.1693
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0504 0.1847
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0766 0.1945
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0118 0.2666 0.6774
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0021 0.0291 0.0025
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.2447 1
Schistosoma mansoni gliotactin 0.0021 0.0291 0.0739
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0082 0.1787 0.2913
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Onchocerca volvulus 0.0021 0.0291 0.0086
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0307 0.1021
Onchocerca volvulus 0.0036 0.0666 0.2572
Onchocerca volvulus 0.0044 0.0863 0.3878
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0666 0.2529
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0082 0.1787 0.4542
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0504 0.303
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0504 0.303
Echinococcus granulosus nAChR subunit 0.0082 0.1787 0.4542
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0666 0.0666
Leishmania major developmentally regulated phosphoprotein-like protein 0.0118 0.2666 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0307 0.05
Onchocerca volvulus 0.0036 0.0666 0.2572
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0045 0.0113
Schistosoma mansoni BC026374 protein (S09 family) 0.0021 0.0291 0.0739
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0082 0.1787 0.2913
Mycobacterium leprae PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE) 0.0077 0.1662 0.638
Mycobacterium ulcerans carboxylesterase, LipT 0.0021 0.0291 0.006
Schistosoma mansoni pyruvate dehydrogenase 0.0118 0.2666 0.6774
Echinococcus granulosus BC026374 protein S09 family 0.0021 0.0291 0.0739
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0082 0.1787 0.2913
Loa Loa (eye worm) hypothetical protein 0.0021 0.0291 0.0291
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0504 0.1847
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0021 0.0291 0.0739
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0666 0.0755
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0082 0.1787 0.2913
Echinococcus granulosus acetylcholinesterase 0.0123 0.2783 0.7073
Brugia malayi hypothetical protein 0.0038 0.0708 0.1154
Onchocerca volvulus 0.0021 0.0291 0.0086
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0082 0.1787 0.4542
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.2447 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0082 0.1787 0.4542
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0666 0.0755
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0021 0.0291 0.0739
Onchocerca volvulus 0.0082 0.1787 1
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0038 0.0708 0.1154
Schistosoma mansoni pyruvate dehydrogenase 0.0111 0.2505 0.6366
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0082 0.1787 0.2913
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.2447 0.2447
Echinococcus multilocularis BC026374 protein (S09 family) 0.0021 0.0291 0.0739
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0045 0.0113
Loa Loa (eye worm) carboxylesterase 0.0021 0.0291 0.0291
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0666 0.1693
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0082 0.1787 0.1787
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0504 0.303
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0082 0.1787 0.1787
Leishmania major ATP-dependent phosphofructokinase 0.0109 0.2447 0.916
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0082 0.1787 0.4542
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0666 0.0755
Onchocerca volvulus 0.0082 0.1787 1
Brugia malayi Hypothetical 29.7 kDa protein C05D11.5 in chromosome III 0.002 0.0278 0.0453
Echinococcus granulosus para nitrobenzyl esterase 0.0021 0.0291 0.0739
Onchocerca volvulus 0.0021 0.0291 0.0086
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0082 0.1787 0.1787
Onchocerca volvulus 0.0038 0.0708 0.285
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0082 0.1787 0.4542
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0082 0.1787 0.2913
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0021 0.0291 0.0954
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.2447 0.2447
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0038 0.0708 0.18
Schistosoma mansoni nAChR subunit 0.0082 0.1787 0.4542
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0082 0.1787 0.2913
Schistosoma mansoni neurotransmitter gated ion channel 0.0038 0.0708 0.18
Loa Loa (eye worm) hypothetical protein 0.0021 0.0291 0.0291
Loa Loa (eye worm) hypothetical protein 0.0038 0.0708 0.0708
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Mycobacterium ulcerans beta-lactamase 0.0036 0.0666 0.179
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0118 0.2666 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0082 0.1787 0.4542
Echinococcus granulosus glycine receptor subunit alpha 1 0.0082 0.1787 0.4542
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0041 0.0792 0.2798
Loa Loa (eye worm) hypothetical protein 0.0011 0.0045 0.0045
Onchocerca volvulus 0.0082 0.1787 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0021 0.0291 0.0739
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0666 0.2316
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0082 0.1787 0.4542
Loa Loa (eye worm) hypothetical protein 0.0036 0.0666 0.0666
Loa Loa (eye worm) hypothetical protein 0.0036 0.0666 0.0666
Loa Loa (eye worm) ACC-1 protein 0.0082 0.1787 0.1787
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0082 0.1787 0.4542
Loa Loa (eye worm) hypothetical protein 0.0021 0.0291 0.0291
Trichomonas vaginalis esterase, putative 0.0036 0.0666 0.2529
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0045 0.0113
Mycobacterium tuberculosis Conserved protein 0.0036 0.0666 0.0755
Onchocerca volvulus 0.0082 0.1787 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0082 0.1787 0.4542
Brugia malayi Carboxylesterase family protein 0.0021 0.0291 0.0474
Schistosoma mansoni hypothetical protein 0.017 0.3935 1
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase 0.0077 0.1662 0.2709
Echinococcus granulosus acetylcholinesterase 0.0123 0.2783 0.7073
Schistosoma mansoni nAChR subunit 0.0082 0.1787 0.4542
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0082 0.1787 0.4542
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0666 0.0755
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0082 0.1787 0.4542
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0666 0.0755
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.000000000098271 0.00000000059134
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) 0.0077 0.1662 0.2692
Loa Loa (eye worm) hypothetical protein 0.0036 0.0666 0.0666
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0624 0.2351
Trichomonas vaginalis spcc417.12 protein, putative 0.0021 0.0291 0.0954
Brugia malayi Carboxylesterase family protein 0.0021 0.0291 0.0474
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0038 0.0708 0.18
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0504 0.2401
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0504 0.1847
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0666 0.179
Schistosoma mansoni hypothetical protein 0.017 0.3935 1
Echinococcus granulosus bloom syndrome protein 0.0021 0.0307 0.078
Schistosoma mansoni nAChR subunit 0.0038 0.0708 0.18
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0197 0.0501
Onchocerca volvulus Putative nachr subunit 0.0082 0.1787 1
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0044 0.0863 0.2194
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Loa Loa (eye worm) hypothetical protein 0.0038 0.0708 0.0708
Loa Loa (eye worm) hypothetical protein 0.0038 0.0708 0.0708
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0666 0.3468
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0504 0.2401
Loa Loa (eye worm) ACC-1 protein 0.0082 0.1787 0.1787
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0021 0.0291 0.0025
Chlamydia trachomatis endonuclease IV 0.0077 0.1662 1
Brugia malayi Carboxylesterase family protein 0.0123 0.2783 0.4537
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0082 0.1787 0.2913
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0045 0.0113
Loa Loa (eye worm) hypothetical protein 0.0036 0.0666 0.0666
Loa Loa (eye worm) hypothetical protein 0.0038 0.0708 0.0708
Mycobacterium tuberculosis Conserved protein 0.0036 0.0666 0.0755
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0666 0.1086
Brugia malayi hypothetical protein 0.0021 0.0291 0.0474
Brugia malayi hypothetical protein 0.0038 0.0708 0.1154
Onchocerca volvulus 0.0038 0.0708 0.285
Brugia malayi 6-phosphofructokinase 0.0109 0.2447 0.3988
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0666 0.2529
Loa Loa (eye worm) hypothetical protein 0.0077 0.1662 0.1662
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0082 0.1787 0.2913
Loa Loa (eye worm) hypothetical protein 0.0038 0.0708 0.0708
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative 0.0077 0.1662 1
Echinococcus multilocularis nAChR subunit 0.0082 0.1787 0.4542
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0082 0.1787 0.4542
Echinococcus granulosus nAChR subunit 0.0044 0.0863 0.2194
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0766 0.1945
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0666 0.0755
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.0708 0.1154
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Schistosoma mansoni nAChR subunit 0.0082 0.1787 0.4542
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0504 0.1847
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.2447 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.2666 0.2666
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0038 0.0708 0.0708
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Echinococcus granulosus glycine receptor subunit alpha 1 0.0082 0.1787 0.4542
Onchocerca volvulus 0.0038 0.0708 0.285
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0109 0.2447 0.916
Brugia malayi Carboxylesterase family protein 0.0021 0.0291 0.0474
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.0708 0.1154
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0082 0.1787 0.4542
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0683 0.0683
Loa Loa (eye worm) hypothetical protein 0.002 0.0278 0.0278
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0307 0.078
Schistosoma mansoni nAChR subunit 0.0082 0.1787 0.4542
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Mycobacterium leprae Probable lipase LipE 0.0036 0.0666 0.179
Loa Loa (eye worm) hypothetical protein 0.0044 0.0863 0.0863
Brugia malayi kinase, mitochondrial precursor 0.0118 0.2666 0.4345
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0038 0.0708 0.1154
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0045 0.0073
Echinococcus multilocularis carboxylesterase 5A 0.0123 0.2783 0.7073
Echinococcus granulosus geminin 0.017 0.3935 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0021 0.0291 0.0025
Loa Loa (eye worm) hypothetical protein 0.0036 0.0666 0.0666
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0082 0.1787 0.2913
Trypanosoma brucei developmentally regulated phosphoprotein 0.0118 0.2666 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0708 0.0708
Schistosoma mansoni nAChR subunit 0.0082 0.1787 0.4542
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0666 0.179
Brugia malayi excitatory GABA receptor EXP-1A 0.0082 0.1787 0.2913
Brugia malayi beta-lactamase family protein 0.0036 0.0666 0.1086
Brugia malayi beta-lactamase 0.0036 0.0666 0.1086
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0021 0.0291 0.0739
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0504 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.1787 0.1787
Echinococcus multilocularis neuroligin 0.0021 0.0291 0.0739
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0666 0.2316
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0082 0.1787 0.1787
Mycobacterium tuberculosis Conserved protein 0.0036 0.0666 0.0755
Schistosoma mansoni nAChR subunit 0.0038 0.0708 0.18
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.0708 0.1154
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0109 0.2447 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0666 0.1693
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.2447 0.6218
Schistosoma mansoni nAChR subunit 0.0082 0.1787 0.4542
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0123 0.2783 0.7073
Loa Loa (eye worm) hypothetical protein 0.0222 0.5211 0.5211

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 14 nM Inhibition of activity against Torpedo Ray acetylcholinesterase. ChEMBL. 11563919
IC50 (binding) = 14 nM Inhibition of activity against Torpedo Ray acetylcholinesterase. ChEMBL. 11563919

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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