Detailed information for compound 82251

Basic information

Technical information
  • TDR Targets ID: 82251
  • Name: N-(3-nitrophenyl)-3-(4-pyridin-2-ylpiperazin- 1-yl)propanamide
  • MW: 355.391 | Formula: C18H21N5O3
  • H donors: 1 H acceptors: 4 LogP: 1.75 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)[N+](=O)[O-])CCN1CCN(CC1)c1ccccn1
  • InChi: 1S/C18H21N5O3/c24-18(20-15-4-3-5-16(14-15)23(25)26)7-9-21-10-12-22(13-11-21)17-6-1-2-8-19-17/h1-6,8,14H,7,9-13H2,(H,20,24)
  • InChiKey: MMXIAJGQHFBBSA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-nitrophenyl)-3-[4-(2-pyridyl)piperazin-1-yl]propanamide
  • N-(3-nitrophenyl)-3-[4-(2-pyridyl)-1-piperazinyl]propanamide
  • N-(3-nitrophenyl)-3-[4-(2-pyridyl)piperazino]propionamide
  • N-(3-nitrophenyl)-3-[4-(2-pyridyl)piperazin-1-yl]propionamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0222
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Brugia malayi Protein kinase domain containing protein 0.0033 0.0694 0.0891
Brugia malayi Protein kinase c protein 2 0.0182 0.5335 0.685
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0222
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0694 1
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0024 0.0413 0.0546
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1497 0.1497
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0023 0.0391 0.0391
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0016 0.0168 0.0215
Schistosoma mansoni nAChR subunit 0.0014 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0125
Loa Loa (eye worm) hypothetical protein 0.0176 0.5161 0.6822
Echinococcus granulosus protein kinase C gamma type 0.0191 0.5616 0.5616
Schistosoma mansoni neurotransmitter gated ion channel 0.0014 0.0095 0.0095
Echinococcus granulosus unc 13 munc13 0.0028 0.0543 0.0543
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0024 0.0413 0.0546
Brugia malayi Hr1 repeat family protein 0.0033 0.0694 0.0891
Loa Loa (eye worm) hypothetical protein 0.0023 0.0391 0.0517
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.003 0.0603 0.0774
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0222
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0016 0.0168 0.0168
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0146 0.0146
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.3333 0.4405
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 0.0603 0.0603
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.003 0.0603 0.0603
Entamoeba histolytica protein kinase, putative 0.0033 0.0694 0.8786
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0146 0.0146
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0146 0.0544
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.009 0.2456 0.2456
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0694 0.0694
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.009 0.2456 0.2456
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0766 0.0766
Echinococcus multilocularis nAChR subunit 0.0016 0.0168 0.0168
Echinococcus multilocularis Rac GTPase activating protein 1 0.0023 0.0391 0.0391
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1497 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0125
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0413 0.0413
Entamoeba histolytica protein kinase, putative 0.0033 0.0694 0.8786
Echinococcus granulosus nAChR subunit 0.0016 0.0168 0.0168
Entamoeba histolytica hypothetical protein 0.0036 0.0766 1
Brugia malayi excitatory GABA receptor EXP-1A 0.003 0.0603 0.0774
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0222
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0146 0.0187
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0125
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0023 0.0391 0.0517
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0023 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0085 0.2309 0.3052
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0694 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1497 1
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0694 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.443 0.5855
Echinococcus multilocularis nAChR subunit 0.003 0.0603 0.0603
Echinococcus granulosus glycine receptor subunit beta 0.003 0.0603 0.0603
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0222
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0023 0.0391 0.0391
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.003 0.0603 0.0796
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.1577 0.1577
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0694 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0033 0.0694 0.0694
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0033 0.0694 0.0917
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0222
Echinococcus multilocularis protein kinase c iota type 0.0057 0.1425 0.1425
Schistosoma mansoni nAChR subunit 0.003 0.0603 0.0603
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.0603 0.0603
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0033 0.0694 0.0917
Onchocerca volvulus 0.0099 0.2744 0.3801
Loa Loa (eye worm) raf kinase 0.0023 0.0391 0.0517
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0033 0.0694 0.0694
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0033 0.0694 0.0694
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0125
Echinococcus granulosus raf serine:threonine protein kinase 0.0023 0.0391 0.0391
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0694 1
Brugia malayi hypothetical protein 0.0014 0.0095 0.0121
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0222
Echinococcus granulosus jun protein 0.0261 0.7788 0.7788
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0014 0.0095 0.0095
Loa Loa (eye worm) LGC-31 protein 0.003 0.0603 0.0796
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.003 0.0603 0.0774
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1497 0.1497
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0079 0.2116 0.2116
Loa Loa (eye worm) hypothetical protein 0.0023 0.0391 0.0517
Onchocerca volvulus 0.0238 0.7064 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0024 0.0413 0.0413
Brugia malayi hypothetical protein 0.0036 0.0766 0.0984
Onchocerca volvulus 0.0023 0.0391 0.0425
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0125
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0146 0.0475
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.003 0.0603 0.0774
Schistosoma mansoni vav2 0.0023 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0023 0.0391 0.0517
Brugia malayi protein kinase C3,putative 0.0024 0.0413 0.053
Echinococcus granulosus N chimaerin 0.0023 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0125
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.003 0.0603 0.0774
Echinococcus multilocularis glycine receptor subunit beta 0.003 0.0603 0.0603
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0222
Echinococcus granulosus Rac GTPase activating protein 1 0.0023 0.0391 0.0391
Entamoeba histolytica hypothetical protein 0.0036 0.0766 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.003 0.0603 0.0603
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.003 0.0603 0.0796
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0694 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.0603 0.0603
Loa Loa (eye worm) hypothetical protein 0.0023 0.0391 0.0517
Schistosoma mansoni neurotransmitter gated ion channel 0.0014 0.0095 0.0095
Echinococcus multilocularis jun protein 0.0261 0.7788 0.7788
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.003 0.0603 0.0603
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0016 0.0168 0.0215
Schistosoma mansoni acetylcholine receptor subunit beta 0.0014 0.0095 0.0095
Schistosoma mansoni diacylglycerol kinase theta 0.0023 0.0391 0.0391
Brugia malayi RhoGEF domain containing protein 0.0023 0.0391 0.0502
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0146 0.0146
Onchocerca volvulus 0.003 0.0603 0.0729
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.003 0.0603 0.0603
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0109 0.3065 1
Loa Loa (eye worm) AGC/NDR protein kinase 0.0033 0.0694 0.0917
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.0603 0.0774
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0023 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0028 0.0543 0.0717
Entamoeba histolytica hypothetical protein 0.0023 0.0391 0.3727
Schistosoma mansoni protein kinase C mu 0.0023 0.0391 0.0391
Echinococcus granulosus serine:threonine protein kinase N2 0.0033 0.0694 0.0694
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0033 0.0694 0.0694
Schistosoma mansoni nAChR subunit 0.0014 0.0095 0.0095
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0032 0.0671 0.9678
Brugia malayi hypothetical protein 0.0205 0.6043 0.7759
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0603 0.0774
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0018 0.022 0.0823
Schistosoma mansoni protein kinase C mu 0.0024 0.0413 0.0413
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 0.0603 0.0603
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.003 0.0603 0.0603
Schistosoma mansoni acetylcholine receptor-related 0.0014 0.0095 0.0095
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1497 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0766 1
Onchocerca volvulus 0.0028 0.0543 0.0643
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.003 0.0603 0.0603
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.003 0.0603 0.0774
Schistosoma mansoni nAChR subunit 0.003 0.0603 0.0603
Echinococcus multilocularis serine:threonine protein kinase N2 0.0033 0.0694 0.0694
Echinococcus granulosus RNA directed DNA polymerase 0.0153 0.443 0.443
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0694 0.0694
Schistosoma mansoni protein kinase C 0.0028 0.0543 0.0543
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0125
Echinococcus granulosus sodium channel protein 0.0109 0.3065 0.3065
Brugia malayi RhoGAP domain containing protein 0.0023 0.0391 0.0502
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0016 0.0168 0.0215
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0694 1
Echinococcus multilocularis protein kinase c epsilon type 0.0062 0.1577 0.1577
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0028 0.0543 0.0543
Echinococcus multilocularis RNA directed DNA polymerase 0.0153 0.443 0.443
Brugia malayi RhoGAP domain containing protein 0.0023 0.0391 0.0502
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0016 0.0168 0.0168
Brugia malayi hypothetical protein 0.0014 0.0095 0.0121
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.009 0.2456 1
Schistosoma mansoni hypothetical protein 0.0011 0.0007 0.0007
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0062 0.1577 0.2084
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0435 0.1626
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0125
Echinococcus multilocularis unc 13 (munc13) 0.0028 0.0543 0.0543
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0146 0.3348
Loa Loa (eye worm) RasGEF domain-containing protein 0.0023 0.0391 0.0517
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0014 0.0095 0.0121
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0125
Schistosoma mansoni jun-related protein 0.0212 0.6266 0.6266
Brugia malayi bZIP transcription factor family protein 0.0261 0.7788 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0391 0.0517
Toxoplasma gondii AGC kinase 0.0033 0.0694 0.2592
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0146 0.3348
Brugia malayi Pleckstrin Homology Domain 0.0023 0.0391 0.0502
Echinococcus multilocularis protein kinase c eta type 0.0023 0.0391 0.0391
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0024 0.0413 0.053
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.3333 0.4405
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0033 0.0694 0.0917
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0007 0.0007
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1497 0.1497
Schistosoma mansoni nAChR subunit 0.003 0.0603 0.0603
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0435 0.6271
Schistosoma mansoni serine/threonine protein kinase 0.0215 0.6347 0.6347
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0261 0.7788 0.7788
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0435 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.009 0.2456 0.2456
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0079 0.2116 0.2797
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1497 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0014 0.0095 0.0121
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0146 0.21
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0435 1
Brugia malayi protein kinase C II. 0.0062 0.1577 0.2025
Brugia malayi C1-like domain containing protein 0.0024 0.0413 0.053
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 0.0603 0.0603
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 0.0603 0.0603
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0125
Loa Loa (eye worm) ACC-1 protein 0.003 0.0603 0.0796
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0079 0.2116 0.2717
Loa Loa (eye worm) hypothetical protein 0.0099 0.2744 0.3627
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0603 0.0774
Echinococcus granulosus Protein kinase C brain isozyme 0.0215 0.6347 0.6347
Brugia malayi Protein kinase domain containing protein 0.0024 0.0413 0.053
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0014 0.0095 0.0121
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.003 0.0603 0.0603
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.0603 0.0774
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0014 0.0095 0.0125
Echinococcus multilocularis N chimaerin 0.0023 0.0391 0.0391
Echinococcus multilocularis serine:threonine protein kinase N2 0.0033 0.0694 0.0694
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0099 0.2744 0.2744
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0014 0.0095 0.0121
Echinococcus multilocularis serine:threonine protein kinase 38 0.0033 0.0694 0.0694
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1497 0.1497
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0033 0.0694 0.0917
Echinococcus multilocularis myotubularin protein 13 0.0023 0.0391 0.0391
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0603 0.0774
Brugia malayi hypothetical protein 0.0014 0.0095 0.0121
Brugia malayi Cation transporter family protein 0.003 0.0603 0.0774
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.0603 0.0774
Loa Loa (eye worm) hypothetical protein 0.0023 0.0391 0.0517
Echinococcus granulosus protein kinase c eta type 0.0023 0.0391 0.0391
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.003 0.0603 0.0603
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.009 0.2456 0.2456
Schistosoma mansoni nAChR subunit 0.003 0.0603 0.0603
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0413 0.0413
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0014 0.0095 0.0121
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.003 0.0603 0.0603
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0694 1
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0694 1
Schistosoma mansoni unc-13 (munc13) 0.003 0.0602 0.0602
Echinococcus multilocularis sodium channel protein 0.0109 0.3065 0.3065
Loa Loa (eye worm) hypothetical protein 0.0023 0.0391 0.0517
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.0603 0.0603
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0146 0.0193
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.003 0.0603 0.0796
Brugia malayi MH2 domain containing protein 0.0118 0.3333 0.4279
Trypanosoma brucei rac serine-threonine kinase, putative 0.0033 0.0694 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0694 0.0917
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0146 0.3348
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0215 0.6347 0.6347
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Schistosoma mansoni nAChR subunit 0.003 0.0603 0.0603
Schistosoma mansoni nAChR subunit 0.003 0.0603 0.0603
Brugia malayi diacylglycerol kinase 0.0023 0.0391 0.0502
Echinococcus multilocularis geminin 0.0332 1 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.003 0.0603 0.0603
Schistosoma mansoni hypothetical protein 0.0036 0.0766 0.0766
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0146 0.21
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0079 0.2116 0.2116
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 0.0603 0.0603
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Echinococcus granulosus glycine receptor subunit beta 0.003 0.0603 0.0603
Schistosoma mansoni hypothetical protein 0.0212 0.6266 0.6266
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0603 0.0774
Echinococcus multilocularis serine threonine protein kinase 0.0191 0.5616 0.5616
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0125
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.003 0.0603 0.0774
Echinococcus granulosus Diacylglycerol kinase theta 0.0023 0.0391 0.0391
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0024 0.0413 0.0413
Brugia malayi hypothetical protein 0.0014 0.0095 0.0121
Loa Loa (eye worm) hypothetical protein 0.0023 0.0391 0.0517
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.003 0.0603 0.0796
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 0.0603 0.0603
Brugia malayi Variant SH3 domain containing protein 0.0023 0.0391 0.0502
Brugia malayi Cation transporter family protein 0.003 0.0603 0.0774
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0603 0.0774
Loa Loa (eye worm) AGC/PKN protein kinase 0.0033 0.0694 0.0917
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0099 0.2744 0.2744
Loa Loa (eye worm) ACC-1 protein 0.003 0.0603 0.0796
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0014 0.0095 0.0125
Entamoeba histolytica hypothetical protein 0.0036 0.0766 1
Brugia malayi Pax transcription factor protein 2 0.0238 0.7064 0.907
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0146 0.0146
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0159 0.4604 0.6086
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0125
Schistosoma mansoni nAChR subunit 0.003 0.0603 0.0603
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0125
Schistosoma mansoni diacylglycerol kinase theta 0.0023 0.0391 0.0391
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.003 0.0603 0.0603
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0125
Schistosoma mansoni unc-13 (munc13) 0.0028 0.0543 0.0543
Brugia malayi isocitrate dehydrogenase 0.0016 0.0146 0.0187
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0603 0.0774
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0766 0.0766
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0261 0.7788 0.7788
Echinococcus multilocularis raf serine:threonine protein kinase 0.0023 0.0391 0.0391
Onchocerca volvulus 0.0205 0.6043 0.8534
Schistosoma mansoni serine/threonine kinase 0.0033 0.0694 0.0694
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0146 0.3348
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0097 0.2677 1
Loa Loa (eye worm) acetylcholine receptor protein 0.0014 0.0095 0.0125
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0125
Entamoeba histolytica protein kinase, putative 0.0033 0.0694 0.8786
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0766 0.0766
Loa Loa (eye worm) hypothetical protein 0.0023 0.0391 0.0517
Onchocerca volvulus 0.003 0.0603 0.0729
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0033 0.0694 0.0694
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0016 0.0168 0.0215
Entamoeba histolytica diacylglycerol kinase, putative 0.0023 0.0391 0.3727
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0694 0.0694
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.003 0.0603 0.0603
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.003 0.0603 0.0603
Brugia malayi Protein kinase domain containing protein 0.0033 0.0694 0.0891
Loa Loa (eye worm) hypothetical protein 0.0025 0.0435 0.0575
Onchocerca volvulus 0.0023 0.0391 0.0425
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0694 1
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0694 0.0694
Onchocerca volvulus 0.003 0.0603 0.0729
Schistosoma mansoni hypothetical protein 0.0332 1 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.0033 0.0694 0.0917
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.003 0.0603 0.0603
Entamoeba histolytica protein kinase, putative 0.0033 0.0694 0.8786
Onchocerca volvulus 0.0099 0.2744 0.3801
Echinococcus multilocularis Diacylglycerol kinase theta 0.0023 0.0391 0.0391
Leishmania major hypothetical protein, conserved 0.0025 0.0435 0.142
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0014 0.0095 0.0095
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0014 0.0095 0.0095
Schistosoma mansoni atypical protein kinase C 0.0057 0.1425 0.1425
Brugia malayi hypothetical protein 0.0025 0.0435 0.0559
Schistosoma mansoni serine/threonine protein kinase 0.0215 0.6347 0.6347
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.003 0.0603 0.0603
Brugia malayi hypothetical protein 0.0014 0.0095 0.0121
Schistosoma mansoni neurotransmitter gated ion channel 0.0016 0.0168 0.0168
Brugia malayi hypothetical protein 0.0016 0.016 0.0206
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1497 0.4884
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0109 0.3065 0.3065
Brugia malayi Cation transporter family protein 0.0099 0.2744 0.3523
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.009 0.2456 0.2456
Loa Loa (eye worm) GABA receptor subunit 0.0016 0.0168 0.0222
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0028 0.0543 0.0543
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.003 0.0603 0.0603
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.003 0.0603 0.0774
Loa Loa (eye worm) hypothetical protein 0.0099 0.2744 0.3627
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0033 0.0694 0.0694
Onchocerca volvulus 0.0099 0.2744 0.3801
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.003 0.0603 0.0796
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0391 0.0517
Loa Loa (eye worm) pax transcription factor protein 2 0.0238 0.7064 0.9338
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.003 0.0603 0.0796
Brugia malayi Protein kinase domain containing protein 0.0033 0.0694 0.0891
Brugia malayi p70 ribosomal S6 kinase beta 0.0033 0.0694 0.0891
Onchocerca volvulus Putative nachr subunit 0.003 0.0603 0.0729
Schistosoma mansoni hypothetical protein 0.0332 1 1
Schistosoma mansoni rac gtpase activating protein 0.0023 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0254 0.7566 1
Echinococcus granulosus protein kinase c epsilon type 0.0062 0.1577 0.1577
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0435 1
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0023 0.0391 0.0517
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1497 0.5592
Echinococcus multilocularis glycine receptor subunit beta 0.003 0.0603 0.0603
Toxoplasma gondii diacylglycerol kinase, putative 0.0023 0.0391 0.146
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0014 0.0095 0.0121
Loa Loa (eye worm) hypothetical protein 0.009 0.2456 0.3247
Echinococcus granulosus NDR protein kinase 0.0033 0.0694 0.0694
Onchocerca volvulus 0.0016 0.0168 0.0105
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0153 0.443 0.443
Echinococcus granulosus nAChR subunit 0.003 0.0603 0.0603
Brugia malayi Ras association domain family 1 isoform A 0.0023 0.0391 0.0502
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0146 0.0544
Schistosoma mansoni hypothetical protein 0.0023 0.0391 0.0391
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0014 0.0095 0.0095
Echinococcus granulosus myotubularin protein 13 0.0023 0.0391 0.0391
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0023 0.0391 0.0517
Entamoeba histolytica diacylglycerol kinase, putative 0.0023 0.0391 0.3727
Echinococcus granulosus protein kinase c iota type 0.0057 0.1425 0.1425
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0694 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0146 0.0146
Onchocerca volvulus 0.0016 0.0168 0.0105
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0014 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0796
Brugia malayi diacylglycerol kinase 0.0023 0.0391 0.0502

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) = 58 uM kg-1 Rat PCA Test(50% inhibition of spot areas)in the female albino rats after (ip)administration in 10% aqueous acacia gum ; value ranges from 42-79 ChEMBL. 2879915
ID50 (functional) = 137 uM kg-1 Rat PCA Test(50% inhibition of spot areas)in the female albino rats after oral administration in 10% aqueous acacia gum; value ranges from 99-191 ChEMBL. 2879915
ID75 (functional) = 0.37 uM kg-1 Antibronchospatic activity determined by histamine stimulated broncospasm inhibition in guinea pigs after(iv)administration ChEMBL. 2879915
Inhibition (functional) = 87 % Inhibition of mast cell degranulation was assessed in female albino rats at a dose of 23 micromol/kg iv ChEMBL. 2879915
LD50 (ADMET) = 0.42 mM kg-1 In vivo toxic effect was determined in mouse after interperitoneal administration with 10% aqueous acacia gum; value ranges from 0.30-0.61 ChEMBL. 2879915
LD50 (ADMET) = 2.07 mM kg-1 In vivo toxic effect was determined in mouse after oral administration with 10% aqueous acacia gum ; value ranges from 1.75-2.99 ChEMBL. 2879915

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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