Detailed information for compound 1275419

Basic information

Technical information
  • TDR Targets ID: 1275419
  • Name: N-(1-phenylethyl)-4-[1-(pyridin-2-ylmethyl)pi peridin-4-yl]oxybenzamide
  • MW: 415.527 | Formula: C26H29N3O2
  • H donors: 1 H acceptors: 2 LogP: 4.12 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)Cc1ccccn1)NC(c1ccccc1)C
  • InChi: 1S/C26H29N3O2/c1-20(21-7-3-2-4-8-21)28-26(30)22-10-12-24(13-11-22)31-25-14-17-29(18-15-25)19-23-9-5-6-16-27-23/h2-13,16,20,25H,14-15,17-19H2,1H3,(H,28,30)
  • InChiKey: UVONKHXLLMIBGD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1-phenylethyl)-4-[[1-(2-pyridylmethyl)-4-piperidyl]oxy]benzamide
  • N-(1-phenylethyl)-4-[[1-(2-pyridylmethyl)-4-piperidinyl]oxy]benzamide
  • N-(1-phenylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-benzamide
  • SMR000315874
  • MLS000733239
  • N-(1-phenylethyl)-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 5 (sodium/choline cotransporter), member 7 Starlite/ChEMBL References
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi GH02984p Get druggable targets OG5_131601 All targets in OG5_131601
Echinococcus granulosus high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Schistosoma mansoni high-affinity choline transporter Get druggable targets OG5_131601 All targets in OG5_131601
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131601 All targets in OG5_131601
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum High affinity choline transporter 1, putative Get druggable targets OG5_131601 All targets in OG5_131601
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR001734,Na+/solute symporter,domain-containing Get druggable targets OG5_131601 All targets in OG5_131601
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0022 0.0079
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0079
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0032 0.0103 0.0663
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0039 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0022 0.0079
Schistosoma mansoni inositol transporter 0.0046 0.02 0.0206
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 0.0348 0.0327
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0022 0.0079
Brugia malayi nuclear hormone receptor 0.0021 0.0022 0.0079
Brugia malayi ecdysteroid receptor 0.0021 0.0022 0.0079
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0039 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0022 0.0079
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0103 0.0081
Plasmodium vivax kinesin-5 0.0189 0.1194 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0032 0.0103 0.0081
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0105 0.0376
Schistosoma mansoni high-affinity choline transporter 0.042 0.2794 0.32
Schistosoma mansoni lamin 0.0033 0.0105 0.0096
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0205 0.1305 0.467
Echinococcus granulosus sodium:glucose cotransporter 2 0.0046 0.02 0.0179
Echinococcus multilocularis lamin 0.0033 0.0105 0.0083
Echinococcus multilocularis neuropeptide s receptor 0.0501 0.3355 0.334
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0022 0.0079
Schistosoma mansoni sodium/solute symporter 0.0046 0.02 0.0206
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0079
Echinococcus granulosus GPCR family 2 0.0065 0.033 0.0309
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0046 0.02 0.1499
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0032 0.0103 0.0081
Echinococcus multilocularis importin subunit beta 1 0.003 0.009 0.0068
Brugia malayi GH02984p 0.042 0.2794 1
Brugia malayi nuclear receptor NHR-88 0.0021 0.0022 0.0079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0022 0.0079
Brugia malayi latrophilin 2 splice variant baaae 0.014 0.0854 0.3055
Onchocerca volvulus 0.0033 0.0105 0.1941
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0034 0.028
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0022 0.0079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0022 0.0079
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0103 0.2396
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0103 0.0081
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0039 1
Echinococcus granulosus importin subunit beta 1 0.003 0.009 0.0068
Echinococcus granulosus neuropeptide receptor A26 0.0501 0.3355 0.334
Echinococcus granulosus intermediate filament protein 0.0033 0.0105 0.0083
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0103 0.2396
Trichomonas vaginalis importin beta-1, putative 0.0025 0.005 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0032 0.0103 0.0081
Echinococcus multilocularis geminin 0.0167 0.1041 0.1021
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0039 0.012
Leishmania major GTP-binding protein, putative 0.0022 0.0034 0.028
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0039 0.012
Brugia malayi Kinesin motor domain containing protein 0.0189 0.1194 0.4272
Echinococcus multilocularis solute carrier family 5 0.0046 0.02 0.0179
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0046 0.02 0.0179
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 0.0348 0.0377
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0022 0.0079
Schistosoma mansoni hypothetical protein 0.014 0.0854 0.096
Brugia malayi Sodium:solute symporter family protein 0.0046 0.02 0.0717
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0022 0.0079
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.005 1
Echinococcus multilocularis musashi 0.0033 0.0105 0.0083
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0034 0.0012
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0039 1
Echinococcus granulosus solute carrier family 5 0.0046 0.02 0.0179
Brugia malayi intermediate filament protein 0.0033 0.0105 0.0376
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0079
Echinococcus granulosus lamin dm0 0.0033 0.0105 0.0083
Echinococcus granulosus microtubule associated protein 2 0.0707 0.4788 0.4777
Loa Loa (eye worm) hypothetical protein 0.042 0.2794 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0105 0.0376
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0022 0.0079
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0068 0.0348 0.2766
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0022 0.0079
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0039 0.0432
Entamoeba histolytica hypothetical protein 0.0025 0.005 0.0213
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0103 0.2396
Entamoeba histolytica kinesin, putative 0.0189 0.1194 1
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0039 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.02 0.0717
Brugia malayi steroid hormone receptor 0.0021 0.0022 0.0079
Echinococcus multilocularis GPCR, family 2 0.0065 0.033 0.0309
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 0.0348 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0079
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.0449 0.0428
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0348 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0039 0.012
Brugia malayi Latrophilin receptor protein 2 0.0065 0.033 0.1181
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0034 0.028
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0032 0.0103 0.2396
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 0.0348 0.0327
Echinococcus multilocularis high affinity choline transporter 1 0.042 0.2794 0.2778
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.009 0.0555
Plasmodium falciparum kinesin-5 0.0189 0.1194 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0022 0.0079
Schistosoma mansoni ran 0.0022 0.0034 0.0014
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0022 0.0079
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0032 0.0103 1
Echinococcus multilocularis lamin dm0 0.0033 0.0105 0.0083
Schistosoma mansoni hypothetical protein 0.0167 0.1041 0.1176
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0022 0.0079
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0034 0.0123
Brugia malayi Importin beta-1 subunit 0.003 0.009 0.0322
Loa Loa (eye worm) hypothetical protein 0.003 0.009 0.0322
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.033 0.1181
Schistosoma mansoni inositol transporter 0.0046 0.02 0.0206
Schistosoma mansoni lamin 0.0033 0.0105 0.0096
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0022 0.0079
Leishmania major importin beta-1 subunit, putative 0.0025 0.005 0.0769
Brugia malayi Isocitrate dehydrogenase 0.0032 0.0103 0.0367
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0046 0.02 0.0179
Toxoplasma gondii kinesin motor domain-containing protein 0.0189 0.1194 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0032 0.0103 0.0367
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0079
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.0449 0.1607
Echinococcus granulosus sodium:glucose cotransporter 0.0046 0.02 0.0179
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0022 0.0079
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0079
Onchocerca volvulus 0.0033 0.0105 0.1941
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0103 0.0081
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0034 0.0077
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.033 0.0309
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0046 0.02 0.0179
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0025 0.009
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.009 0.2004
Brugia malayi isocitrate dehydrogenase 0.0032 0.0103 0.0367
Loa Loa (eye worm) hypothetical protein 0.0033 0.0105 0.0376
Giardia lamblia Kinesin-5 0.0189 0.1194 1
Schistosoma mansoni microtubule-associated protein tau 0.0707 0.4788 0.5502
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.009 0.2004
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0103 0.0663
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0022 0.0079
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.005 0.0769
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0039 0.012
Schistosoma mansoni hypothetical protein 0.0065 0.033 0.0355
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0032 0.0103 0.0093
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0348 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.033 0.1181
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.033 0.0309
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0022 0.0079
Schistosoma mansoni hypothetical protein 0.0065 0.033 0.0355
Loa Loa (eye worm) hypothetical protein 0.0082 0.0449 0.1607
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0034 0.0012
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0039 0.0432
Schistosoma mansoni hypothetical protein 0.0325 0.2133 0.2437
Loa Loa (eye worm) hypothetical protein 0.0065 0.033 0.1181
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.0449 0.0493
Brugia malayi Calcitonin receptor-like protein seb-1 0.0205 0.1305 0.467
Entamoeba histolytica hypothetical protein 0.0023 0.0039 0.012
Echinococcus multilocularis kinesin family 1 0.1457 1 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0348 1
Brugia malayi RNA, U transporter 1 0.0086 0.0479 0.1716
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0025 0.009
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.005 1
Echinococcus multilocularis snurportin 1 0.0325 0.2133 0.2116
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0325 0.2133 0.7635
Loa Loa (eye worm) hypothetical protein 0.014 0.0854 0.3055
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.033 0.0309
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0039 0.5
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0151 0.0129
Echinococcus granulosus snurportin 1 0.0325 0.2133 0.2116
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0068 0.0348 0.1247
Onchocerca volvulus 0.0046 0.02 0.4176
Schistosoma mansoni importin beta-1 0.003 0.009 0.0078
Schistosoma mansoni kinesin eg-5 0.0189 0.1194 0.1352
Echinococcus multilocularis neuropeptide receptor A26 0.0501 0.3355 0.334
Plasmodium falciparum importin beta, putative 0.003 0.009 0.0555
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0079
Trichomonas vaginalis ran, putative 0.0022 0.0034 0.3637
Schistosoma mansoni amine GPCR 0.0379 0.251 0.2871
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0205 0.1305 0.467
Schistosoma mansoni ap endonuclease 0.0021 0.0025 0.0004
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 0.0348 0.1247
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0025 0.0003
Entamoeba histolytica Ran family GTPase 0.0022 0.0034 0.0077
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0034 0.0123
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0079
Schistosoma mansoni ap endonuclease 0.0021 0.0025 0.0004
Echinococcus granulosus lamin 0.0033 0.0105 0.0083
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0022 0.0079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0022 0.0079
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0025 0.0003
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0032 0.0103 0.0663
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0034 0.0077
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0032 0.0103 0.2396
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.033 0.0309
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0034 0.028
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0819 0.5569 0.5559
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0022 0.0079
Echinococcus multilocularis microtubule associated protein 2 0.0707 0.4788 0.4777
Schistosoma mansoni hypothetical protein 0.1268 0.8685 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0039 0.1803
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0103 0.0663
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0022 0.0079
Echinococcus granulosus neuropeptide s receptor 0.0501 0.3355 0.334
Schistosoma mansoni intermediate filament proteins 0.0033 0.0105 0.0096
Loa Loa (eye worm) hypothetical protein 0.0032 0.0101 0.0361
Plasmodium vivax importin-beta 2, putative 0.003 0.009 0.0555
Echinococcus granulosus high affinity choline transporter 1 0.042 0.2794 0.2778
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0034 0.0077
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0046 0.02 0.0179
Echinococcus granulosus geminin 0.0167 0.1041 0.1021
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.0449 0.0428
Schistosoma mansoni biogenic amine (5HT) receptor 0.0819 0.5569 0.6403
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0105 0.0376
Schistosoma mansoni hypothetical protein 0.0065 0.033 0.0355
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0022 0.0079
Schistosoma mansoni ran 0.0022 0.0034 0.0014
Loa Loa (eye worm) kinesin-like protein KLP2 0.0189 0.1194 0.4272
Echinococcus granulosus sodium:myo inositol cotransporter 0.0046 0.02 0.0179
Schistosoma mansoni hypothetical protein 0.0065 0.033 0.0355
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0034 0.0077
Onchocerca volvulus 0.0082 0.0449 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0819 0.5569 0.5559
Loa Loa (eye worm) hypothetical protein 0.0205 0.1305 0.467
Schistosoma mansoni hypothetical protein 0.0167 0.1041 0.1176
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0151 0.0129

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 1.258925412 uM PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 10 point CRC. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) = 1.26 uM Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells by membrane depolarization assay ChEMBL. 25801932
IC50 (functional) 1.601439246 uM PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 5 point CRC. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488975, AID488997, AID493221, AID493222] ChEMBL. No reference
IC50 (functional) 1.790077754 uM PUBCHEM_BIOASSAY: JHICC_CHT_Inh_3H uptake_CRC. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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