Detailed information for compound 15142

Basic information

Technical information
  • TDR Targets ID: 15142
  • Name: N-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]- 2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
  • MW: 343.463 | Formula: C20H29N3O2
  • H donors: 3 H acceptors: 2 LogP: 2.24 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(NC(=O)C1=CC(NC1(C)C)(C)C)C)Nc1c(C)cccc1C
  • InChi: 1S/C20H29N3O2/c1-12-9-8-10-13(2)16(12)22-17(24)14(3)21-18(25)15-11-19(4,5)23-20(15,6)7/h8-11,14,23H,1-7H3,(H,21,25)(H,22,24)
  • InChiKey: JMTUFARFRMZHOI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
  • N-[2-(2,6-dimethylanilino)-1-methyl-2-oxoethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
  • N-[1-[(2,6-dimethylphenyl)amino]-1-oxo-propan-2-yl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
  • N-[2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl]-2,2,5,5-tetramethyl-3-pyrroline-3-carboxamide
  • N-[1-[(2,6-dimethylphenyl)amino]-1-oxopropan-2-yl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
  • N-[2-[(2,6-dimethylphenyl)amino]-1-methyl-2-oxo-ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
  • N-[2-[(2,6-dimethylphenyl)amino]-1-methyl-2-oxoethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
  • N-[2-[(2,6-dimethylphenyl)amino]-2-keto-1-methyl-ethyl]-2,2,5,5-tetramethyl-3-pyrroline-3-carboxamide

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
Treponema pallidum sodium- and chloride- dependent transporter 0.0236 0.16 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0027 0.007 0.0061
Brugia malayi Nuclear hormone receptor-like 1 0.0027 0.007 0.0074
Toxoplasma gondii hypothetical protein 0.0516 0.3647 1
Schistosoma mansoni peroxidasin 0.1312 0.9468 1
Schistosoma mansoni cytochrome-c oxidase 0.0044 0.0193 0.0191
Loa Loa (eye worm) voltage-dependent calcium channel 0.0039 0.0159 0.0168
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.004 0.0165 0.0161
Loa Loa (eye worm) hypothetical protein 0.1312 0.9468 1
Brugia malayi Animal haem peroxidase family protein 0.1312 0.9468 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0191 0.1267 0.1339
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0027 0.007 0.0061
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.004 0.0165 0.0161
Trichomonas vaginalis AGC family protein kinase 0.0191 0.1267 0.0946
Schistosoma mansoni slit 0.0193 0.1279 0.134
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0665 0.473 0.6855
Loa Loa (eye worm) cytochrome oxidase subunit 2 0.0026 0.0064 0.0068
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0027 0.007 0.0061
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.007 0.0061
Schistosoma mansoni serine/threonine protein kinase 0.0191 0.1267 0.1327
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0039 0.0159 0.0155
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0027 0.007 0.0074
Schistosoma mansoni hypothetical protein 0.0193 0.1279 0.134
Loa Loa (eye worm) hypothetical protein 0.004 0.0165 0.0174
Loa Loa (eye worm) blistered cuticle protein 3 0.1312 0.9468 1
Mycobacterium leprae PROBABLE TRANSFERASE 0.0066 0.0355 0.0341
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.016 0.0195
Brugia malayi Protein kinase domain containing protein 0.0191 0.1267 0.1339
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.0715 0.0743
Loa Loa (eye worm) Notch2 0.0193 0.1279 0.1351
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0236 0.16 0.169
Onchocerca volvulus 0.004 0.0165 0.0161
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0027 0.007 0.0074
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0191 0.1267 0.1327
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.004 0.0165 0.0161
Schistosoma mansoni notch 0.0193 0.1279 0.134
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0027 0.007 0.0074
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0039 0.0159 0.0155
Plasmodium vivax sulfate transporter, putative 0.0032 0.0104 0.1523
Schistosoma mansoni hypothetical protein 0.0193 0.1279 0.134
Wolbachia endosymbiont of Brugia malayi cytochrome c oxidase, subunit 2 0.0146 0.0936 1
Schistosoma mansoni hypothetical protein 0.0193 0.1279 0.134
Loa Loa (eye worm) serotonin transporter b 0.0236 0.16 0.169
Schistosoma mansoni notch 0.0193 0.1279 0.134
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.004 0.0165 0.0172
Schistosoma mansoni laminin gamma-3 chain 0.0193 0.1279 0.134
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0027 0.007 0.0074
Echinococcus multilocularis neurogenic locus notch protein 0.0193 0.1279 0.134
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0084 0.0088
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0193 0.1279 0.134
Echinococcus multilocularis geminin 0.0166 0.1083 0.1132
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0027 0.007 0.0061
Schistosoma mansoni hypothetical protein 0.0193 0.1279 0.134
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Onchocerca volvulus Bile acid receptor homolog 0.0027 0.007 0.0061
Onchocerca volvulus Dual oxidase homolog 0.1312 0.9468 1
Brugia malayi phosphoinositide-dependent protein kinase I 0.0191 0.1267 0.1339
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.0771 0.0803
Schistosoma mansoni hypothetical protein 0.0516 0.3647 0.3844
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Brugia malayi follicle stimulating hormone receptor 0.0236 0.1595 0.1685
Loa Loa (eye worm) hypothetical protein 0.004 0.0165 0.0174
Loa Loa (eye worm) animal heme peroxidase 0.1312 0.9468 1
Loa Loa (eye worm) hypothetical protein 0.1312 0.9468 1
Echinococcus multilocularis carbonic anhydrase II 0.1069 0.7684 0.8114
Toxoplasma gondii hypothetical protein 0.004 0.0165 0.0172
Brugia malayi nuclear hormone receptor 0.0027 0.007 0.0074
Mycobacterium ulcerans epoxide hydrolase EphA 0.016 0.104 0.1031
Onchocerca volvulus Peroxidase homolog 0.1312 0.9468 1
Toxoplasma gondii transporter, cation channel family protein 0.0039 0.0159 0.0156
Echinococcus granulosus neural cadherin 0.0193 0.1279 0.134
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0027 0.007 0.0074
Loa Loa (eye worm) hypothetical protein 0.0027 0.007 0.0074
Loa Loa (eye worm) hypothetical protein 0.1312 0.9468 1
Schistosoma mansoni carbonic anhydrase-related 0.0516 0.3647 0.3844
Loa Loa (eye worm) hypothetical protein 0.1312 0.9468 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.004 0.0165 0.0161
Echinococcus granulosus protein jagged 2 0.0193 0.1279 0.134
Schistosoma mansoni notch 0.0193 0.1279 0.134
Echinococcus granulosus uncharacterized sodium dependent transporter 0.004 0.0165 0.0161
Brugia malayi Animal haem peroxidase family protein 0.1312 0.9468 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0516 0.3647 0.3852
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0191 0.1267 0.1339
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0032 0.0104 0.0094
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0027 0.007 0.0061
Schistosoma mansoni hypothetical protein 0.0123 0.0771 0.0803
Echinococcus multilocularis voltage dependent calcium channel 0.0039 0.0159 0.0155
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0027 0.007 0.0074
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0032 0.0104 0.0123
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0125 0.0785 0.0829
Brugia malayi P38 map kinase family protein 2 0.0125 0.0785 0.0829
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0039 0.0159 0.0155
Echinococcus granulosus mitogen activated protein kinase 14 0.0125 0.0785 0.0817
Brugia malayi Peroxidasin 0.1312 0.9468 1
Schistosoma mansoni septate junction protein 0.0193 0.1279 0.134
Echinococcus multilocularis protein jagged 1 0.0193 0.1279 0.134
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1069 0.7684 0.8116
Brugia malayi EGF-like domain containing protein 0.0193 0.1279 0.1351
Brugia malayi Calcium binding EGF domain containing protein 0.0193 0.1279 0.1351
Echinococcus multilocularis mitogen activated protein kinase 11 0.0125 0.0785 0.0817
Echinococcus multilocularis protein jagged 2 0.0193 0.1279 0.134
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0032 0.0104 0.0123
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0032 0.0104 0.0123
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0125 0.0785 0.0903
Echinococcus granulosus carbonic anhydrase 0.0516 0.3647 0.3844
Onchocerca volvulus 0.004 0.0165 0.0161
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0039 0.0159 0.0155
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Echinococcus multilocularis FTZ F1 alpha 0.0027 0.007 0.0061
Loa Loa (eye worm) CYP4Cod1 0.0019 0.001 0.001
Onchocerca volvulus 0.1312 0.9468 1
Leishmania major hypothetical protein, conserved 0.0039 0.016 0.0175
Entamoeba histolytica acetyltransferase, putative 0.0069 0.0374 0.0254
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0044 0.0193 0.0191
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0102 0.0614 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0027 0.007 0.0061
Echinococcus granulosus serotonin transporter 0.0236 0.16 0.1679
Onchocerca volvulus Protein ultraspiracle homolog 0.0027 0.007 0.0061
Onchocerca volvulus 0.0193 0.1279 0.134
Toxoplasma gondii hypothetical protein 0.004 0.0165 0.0172
Mycobacterium ulcerans carbonic anhydrase 0.1193 0.8595 0.8594
Onchocerca volvulus Chorion peroxidase homolog 0.1312 0.9468 1
Echinococcus granulosus fibropellin Ia 0.0193 0.1279 0.134
Echinococcus multilocularis slit 2 protein 0.0193 0.1279 0.134
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0125 0.0785 0.101
Plasmodium falciparum cytochrome c oxidase subunit 2, putative 0.0044 0.0193 0.0498
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Brugia malayi Animal haem peroxidase family protein 0.1312 0.9468 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.001 0.001
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0759 0.5423 0.7893
Trichomonas vaginalis AGC family protein kinase 0.0191 0.1267 0.0946
Leishmania major carbonic anhydrase family protein, putative 0.1193 0.8595 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.016 0.0195
Brugia malayi Calcium binding EGF domain containing protein 0.0193 0.1279 0.1351
Schistosoma mansoni carbonic anhydrase-related 0.0516 0.3647 0.3844
Loa Loa (eye worm) steroid hormone receptor 0.0027 0.007 0.0074
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1069 0.7684 1
Onchocerca volvulus Slit protein homolog 0.0193 0.1279 0.134
Echinococcus multilocularis neurogenic locus notch protein 0.0193 0.1279 0.134
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0191 0.1267 0.1327
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0012 0.0013
Onchocerca volvulus 0.02 0.1332 0.1395
Echinococcus multilocularis peroxidasin 0.1312 0.9468 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.007 0.0061
Onchocerca volvulus Peroxidase homolog 0.1312 0.9468 1
Loa Loa (eye worm) animal heme peroxidase 0.1312 0.9468 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.004 0.0165 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0125 0.0785 0.101
Schistosoma mansoni sodium/chloride dependent transporter 0.0042 0.0181 0.0179
Onchocerca volvulus 0.0236 0.16 0.1679
Loa Loa (eye worm) hypothetical protein 0.1312 0.9468 1
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0193 0.1279 0.134
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0516 0.3647 0.3852
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0125 0.0785 0.101
Schistosoma mansoni sodium/chloride dependent transporter 0.004 0.0165 0.0161
Echinococcus multilocularis notch 0.0193 0.1279 0.134
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0027 0.007 0.0061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0027 0.007 0.0074
Loa Loa (eye worm) hypothetical protein 0.0039 0.0159 0.0168
Leishmania major carbonic anhydrase-like protein 0.1069 0.7684 0.8939
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1069 0.7684 0.8114
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0039 0.0159 0.0155
Loa Loa (eye worm) animal heme peroxidase 0.1312 0.9468 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.004 0.0165 0.0161
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0516 0.3647 0.3852
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1069 0.7684 0.8114
Onchocerca volvulus Peroxidasin homolog 0.1312 0.9468 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.0125 0.0785 0.0817
Loa Loa (eye worm) hypothetical protein 0.1312 0.9468 1
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0478 0.3363 0.3544
Brugia malayi EGF-like domain containing protein 0.0193 0.1279 0.1351
Loa Loa (eye worm) hypothetical protein 0.0019 0.0012 0.0013
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0039 0.0159 0.0194
Loa Loa (eye worm) hypothetical protein 0.1312 0.9468 1
Echinococcus multilocularis neural cadherin 0.0193 0.1279 0.134
Entamoeba histolytica protein kinase, putative 0.0191 0.1267 0.1313
Loa Loa (eye worm) hypothetical protein 0.1312 0.9468 1
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.016 0.104 0.132
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0069 0.0374 0.2761
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0027 0.007 0.0074
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.004 0.0165 0.0172
Brugia malayi Cytochrome P450 family protein 0.0019 0.001 0.001
Plasmodium vivax amine transporter, putative 0.004 0.0165 0.2534
Schistosoma mansoni peroxidasin 0.1312 0.9468 1
Echinococcus multilocularis voltage dependent calcium channel 0.0039 0.0159 0.0155
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0039 0.0159 0.0194
Mycobacterium ulcerans hypothetical protein 0.0039 0.016 0.015
Schistosoma mansoni lipoxygenase 0.0115 0.0715 0.0743
Loa Loa (eye worm) hypothetical protein 0.0035 0.0124 0.0131
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0039 0.0159 0.0155
Echinococcus multilocularis ecdysone induced protein 78C 0.0027 0.007 0.0061
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.004 0.0165 0.0174
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0027 0.007 0.0061
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Echinococcus granulosus sodium and chloride dependent glycine 0.004 0.0165 0.0161
Onchocerca volvulus 0.0027 0.007 0.0061
Loa Loa (eye worm) hypothetical protein 0.0516 0.3647 0.3852
Brugia malayi steroid hormone receptor 0.0027 0.007 0.0074
Echinococcus granulosus dynactin 5 p25 0.0069 0.0374 0.0383
Brugia malayi Animal haem peroxidase family protein 0.1312 0.9468 1
Brugia malayi Doublecortin family protein 0.0019 0.0012 0.0013
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0069 0.0374 0.0322
Loa Loa (eye worm) notch protein 0.0193 0.1279 0.1351
Echinococcus multilocularis neurogenic locus notch protein 4 0.0193 0.1279 0.134
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Loa Loa (eye worm) hypothetical protein 0.004 0.0165 0.0174
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.007 0.0061
Brugia malayi Blistered cuticle protein 3 0.1312 0.9468 1
Schistosoma mansoni notch 0.0193 0.1279 0.134
Echinococcus granulosus notch 0.0193 0.1279 0.134
Echinococcus multilocularis serotonin transporter 0.0236 0.16 0.1679
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.004 0.0165 0.0174
Brugia malayi Cadherin domain containing protein 0.0193 0.1279 0.1351
Echinococcus multilocularis fibropellin Ia 0.0193 0.1279 0.134
Giardia lamblia High cysteine protein 0.0193 0.1279 0.5
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0044 0.0193 0.0191
Echinococcus granulosus sodium and chloride dependent glycine 0.004 0.0165 0.0161
Schistosoma mansoni retinoic acid receptor RXR 0.0027 0.007 0.0061
Loa Loa (eye worm) hypothetical protein 0.0516 0.3647 0.3852
Echinococcus granulosus carbonic anhydrase 0.0516 0.3647 0.3844
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0236 0.16 0.1679
Loa Loa (eye worm) hypothetical protein 0.0039 0.0159 0.0168
Loa Loa (eye worm) hypothetical protein 0.0027 0.007 0.0074
Loa Loa (eye worm) norepinephrine transporter 0.0236 0.16 0.169
Trichomonas vaginalis conserved hypothetical protein 0.1385 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0027 0.007 0.0074
Toxoplasma gondii hypothetical protein 0.0035 0.0124 0.0058
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0236 0.1595 0.1685
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0027 0.007 0.0074
Echinococcus granulosus voltage dependent calcium channel 0.0039 0.0159 0.0155
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0027 0.007 0.0061
Schistosoma mansoni sodium/chloride dependent transporter 0.0236 0.16 0.1679
Echinococcus granulosus neurogenic locus notch protein 0.0193 0.1279 0.134
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Loa Loa (eye worm) hypothetical protein 0.0236 0.16 0.169
Schistosoma mansoni hypothetical protein 0.0193 0.1279 0.134
Onchocerca volvulus 0.0193 0.1279 0.134
Echinococcus multilocularis sodium and chloride dependent glycine 0.004 0.0165 0.0161
Plasmodium falciparum carbonic anhydrase 0.0516 0.3647 1
Echinococcus granulosus voltage dependent calcium channel 0.0039 0.0159 0.0155
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.004 0.0165 0.0174
Brugia malayi Animal haem peroxidase family protein 0.1312 0.9468 1
Plasmodium vivax cytochrome c oxidase subunit 2, putative 0.0044 0.0193 0.3006
Loa Loa (eye worm) animal heme peroxidase 0.1312 0.9468 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.0398 0.0408
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0027 0.007 0.0061
Loa Loa (eye worm) hypothetical protein 0.1312 0.9468 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0516 0.3647 0.3852
Schistosoma mansoni thyroid hormone receptor 0.015 0.097 0.1013
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.0771 0.0803
Echinococcus multilocularis sodium and chloride dependent glycine 0.004 0.0165 0.0161
Trypanosoma brucei carbonic anhydrase-like protein 0.1069 0.7684 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0027 0.007 0.0061
Echinococcus granulosus carbonic anhydrase II 0.1069 0.7684 0.8114
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.016 0.0195
Loa Loa (eye worm) hypothetical protein 0.0035 0.0124 0.0131
Onchocerca volvulus 0.0044 0.0193 0.0191
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.004 0.0165 0.0161
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.004 0.0165 0.0161
Echinococcus granulosus mitogen activated protein kinase 11 0.0125 0.0785 0.0817
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1069 0.7684 0.8116
Loa Loa (eye worm) calcium channel 0.0039 0.0159 0.0168
Brugia malayi EGF-like domain containing protein 0.0193 0.1279 0.1351
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0516 0.3647 0.3852
Onchocerca volvulus 0.1312 0.9468 1
Echinococcus granulosus delta-like protein 1 0.0193 0.1279 0.134
Loa Loa (eye worm) hypothetical protein 0.0027 0.007 0.0074
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1069 0.7684 1
Brugia malayi hypothetical protein 0.0019 0.0012 0.0013
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Schistosoma mansoni hypothetical protein 0.0193 0.1279 0.134
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Loa Loa (eye worm) hypothetical protein 0.0236 0.16 0.169
Loa Loa (eye worm) hypothetical protein 0.0027 0.007 0.0074
Brugia malayi Sodium:neurotransmitter symporter family protein 0.004 0.0165 0.0174
Plasmodium falciparum amino acid transporter, putative 0.004 0.0165 0.042
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.0398 0.0408
Loa Loa (eye worm) hypothetical protein 0.0019 0.0012 0.0013
Echinococcus granulosus neurogenic locus notch protein 0.0193 0.1279 0.134
Brugia malayi Cytochrome P450 family protein 0.0019 0.001 0.001
Echinococcus granulosus neurogenic locus notch protein 4 0.0193 0.1279 0.134
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0027 0.007 0.0074
Loa Loa (eye worm) hypothetical protein 0.0236 0.16 0.169
Schistosoma mansoni microsomal glutathione s-transferase 0.0109 0.0671 0.0697
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.004 0.0165 0.0161
Echinococcus granulosus microsomal glutathione S transferase 3 0.0109 0.0671 0.0697
Schistosoma mansoni notch 0.0193 0.128 0.1341
Onchocerca volvulus Putative sulfate transporter 0.02 0.1332 0.1395
Onchocerca volvulus 0.0193 0.1279 0.134
Schistosoma mansoni hypothetical protein 0.0166 0.1083 0.1132
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0027 0.007 0.0061
Brugia malayi EGF-like domain containing protein 0.0193 0.1279 0.1351
Echinococcus granulosus ecdysone induced protein 78C 0.0027 0.007 0.0061
Onchocerca volvulus 0.004 0.0165 0.0161
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Brugia malayi Sodium:neurotransmitter symporter family protein 0.004 0.0165 0.0174
Entamoeba histolytica ankyrin, putative 0.0069 0.0375 0.0255
Schistosoma mansoni sodium-dependent amino acid transporter 0.004 0.0165 0.0161
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0193 0.1279 0.1351
Schistosoma mansoni steroid hormone receptor ad4bp 0.0027 0.007 0.0061
Onchocerca volvulus Putative cubilin 0.0193 0.1279 0.134
Echinococcus granulosus carbonic anhydrase 0.0516 0.3647 0.3844
Mycobacterium ulcerans transmembrane cytochrome C oxidase (subunit II) CtaC 0.0044 0.0193 0.0184
Schistosoma mansoni cytochrome c oxidase subunit II 0.0119 0.0743 0.0773
Schistosoma mansoni cell polarity protein 0.0193 0.1279 0.134
Loa Loa (eye worm) hypothetical protein 0.1312 0.9468 1
Brugia malayi ecdysteroid receptor 0.0027 0.007 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0027 0.007 0.0074
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0027 0.007 0.0061
Trichomonas vaginalis AGC family protein kinase 0.0191 0.1267 0.0946
Echinococcus granulosus protein jagged 1 0.0193 0.1279 0.134
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0039 0.0159 0.0155
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0027 0.007 0.0074
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.004 0.0165 0.0172
Loa Loa (eye worm) hypothetical protein 0.0027 0.007 0.0074
Brugia malayi Calcium binding EGF domain containing protein 0.0193 0.1279 0.1351
Echinococcus granulosus slit 2 protein 0.0193 0.1279 0.134
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.004 0.0165 0.0161
Brugia malayi EGF-like domain containing protein 0.0193 0.1279 0.1351
Schistosoma mansoni carbonic anhydrase 0.1193 0.8595 0.9077
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0027 0.007 0.0074
Brugia malayi hypothetical protein 0.1312 0.9468 1
Echinococcus granulosus protein jagged 1 0.0193 0.1279 0.134
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Echinococcus multilocularis carbonic anhydrase 0.0516 0.3647 0.3844
Onchocerca volvulus 0.0193 0.1279 0.134
Mycobacterium ulcerans integral membrane transporter 0.0032 0.0104 0.0094
Loa Loa (eye worm) hypothetical protein 0.0027 0.007 0.0074
Brugia malayi hypothetical protein 0.004 0.0165 0.0174
Loa Loa (eye worm) hypothetical protein 0.1312 0.9468 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.015 0.097 0.1013
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0951 0.6828 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0027 0.007 0.0074
Brugia malayi Steroid receptor seven-up type 2 0.0027 0.007 0.0074
Brugia malayi Muscle positioning protein 4 0.0193 0.1279 0.1351
Schistosoma mansoni lipoxygenase 0.0081 0.0461 0.0474
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0027 0.007 0.0061
Schistosoma mansoni notch 0.0193 0.1279 0.134
Loa Loa (eye worm) carbonic anhydrase 3 0.1069 0.7684 0.8116
Brugia malayi nuclear receptor NHR-88 0.0027 0.007 0.0074
Echinococcus granulosus FTZ F1 alpha 0.0027 0.007 0.0061
Loa Loa (eye worm) hypothetical protein 0.004 0.0165 0.0174
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0044 0.0193 0.0191
Schistosoma mansoni nuclear hormone receptor 0.0027 0.007 0.0061
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.007 0.0061
Echinococcus multilocularis carbonic anhydrase 0.0516 0.3647 0.3844
Brugia malayi hypothetical protein 0.0019 0.0012 0.0013
Brugia malayi EGF-like domain containing protein 0.0193 0.1279 0.1351
Loa Loa (eye worm) solute carrier family 6 member 4 0.0236 0.16 0.169
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0039 0.0159 0.0168
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0109 0.0671 0.0697
Loa Loa (eye worm) hypothetical protein 0.1095 0.7876 0.8319
Schistosoma mansoni hypothetical protein 0.0166 0.1083 0.1132
Loa Loa (eye worm) hypothetical protein 0.0027 0.007 0.0074
Loa Loa (eye worm) hypothetical protein 0.004 0.0165 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0027 0.007 0.0074
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Plasmodium vivax hypothetical protein, conserved 0.004 0.0165 0.2534
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0069 0.0374 0.2761
Onchocerca volvulus Peroxidasin homolog 0.1312 0.9468 1
Plasmodium falciparum transporter, putative 0.004 0.0165 0.042
Trichomonas vaginalis conserved hypothetical protein 0.1385 1 1
Schistosoma mansoni carbonic anhydrase 0.0516 0.3647 0.3844
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0044 0.0193 0.0191
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0027 0.007 0.0074
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0516 0.3647 0.3852
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0027 0.007 0.0074
Schistosoma mansoni coup transcription factor 0.0027 0.007 0.0061
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.0715 0.0743
Loa Loa (eye worm) hypothetical protein 0.004 0.0165 0.0174
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.004 0.0165 0.0161
Toxoplasma gondii MAPEG family protein 0.0109 0.0671 0.1602
Brugia malayi Delta serrate ligand family protein 0.0193 0.1279 0.1351
Schistosoma mansoni thyroid hormone receptor 0.015 0.097 0.1013
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Echinococcus multilocularis protein jagged 1 0.0193 0.1279 0.134
Schistosoma mansoni voltage-gated cation channel 0.0039 0.0159 0.0155
Echinococcus multilocularis neurogenic locus protein delta 0.0193 0.1279 0.134
Echinococcus granulosus neurogenic locus protein delta 0.0193 0.1279 0.134
Loa Loa (eye worm) hypothetical protein 0.004 0.0165 0.0174
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Loa Loa (eye worm) hypothetical protein 0.1312 0.9468 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.004 0.0165 0.0161
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.004 0.0165 0.0161
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0032 0.0104 0.0252
Onchocerca volvulus Neurogenic locus notch homolog 0.0193 0.128 0.1341
Echinococcus granulosus geminin 0.0166 0.1083 0.1132
Schistosoma mansoni hypothetical protein 0.0193 0.1279 0.134
Brugia malayi GCC2 and GCC3 family protein 0.0193 0.1279 0.1351
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.004 0.0165 0.0161
Brugia malayi Sodium:neurotransmitter symporter family protein 0.004 0.0165 0.0174
Echinococcus granulosus peroxidasin 0.1312 0.9468 1
Mycobacterium tuberculosis Probable transmembrane cytochrome C oxidase (subunit II) CtaC 0.0044 0.0193 0.005
Toxoplasma gondii cytochrome C oxidase subunit IIb, putative 0.0044 0.0193 0.0252
Mycobacterium leprae Probable transmembrane transport protein 0.0231 0.1558 0.1751
Mycobacterium ulcerans transferase 0.0066 0.0355 0.0345
Entamoeba histolytica carbonic anhydrase, putative 0.1193 0.8595 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0039 0.0159 0.0155
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.001 0.001
Echinococcus multilocularis neurogenic locus protein delta 0.0193 0.1279 0.134
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1069 0.7684 0.8116
Echinococcus multilocularis mitogen activated protein kinase 14 0.0125 0.0785 0.0817
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Onchocerca volvulus 0.1312 0.9468 1
Echinococcus granulosus protein jagged 2 0.0193 0.1279 0.134
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0027 0.007 0.0074
Brugia malayi Cytochrome P450 family protein 0.0029 0.0084 0.0088
Loa Loa (eye worm) hypothetical protein 0.1312 0.9468 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0039 0.0159 0.0155
Onchocerca volvulus 0.0066 0.0355 0.0362
Loa Loa (eye worm) hypothetical protein 0.0027 0.007 0.0074
Echinococcus multilocularis mitogen activated protein kinase 11 0.0125 0.0785 0.0817
Echinococcus multilocularis carbonic anhydrase 0.0516 0.3647 0.3844
Echinococcus multilocularis fat cadherin tumor suppressor 0.0193 0.1279 0.134
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0027 0.007 0.0074
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0231 0.1558 0.2097
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0032 0.0104 0.0094
Brugia malayi EGF-like domain containing protein 0.0193 0.1279 0.1351
Brugia malayi photoreceptor-specific nuclear receptor 0.0027 0.007 0.0074
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0027 0.007 0.0061
Toxoplasma gondii EGF family domain-containing protein 0.0193 0.1279 0.3317
Brugia malayi Cadherin domain containing protein 0.0193 0.1279 0.1351
Brugia malayi notch-like transmembrane receptor 0.0193 0.1279 0.1351
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.004 0.0165 0.0161
Loa Loa (eye worm) hypothetical protein 0.0193 0.1279 0.1351
Onchocerca volvulus 0.0193 0.1279 0.134
Loa Loa (eye worm) hypothetical protein 0.1312 0.9468 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1193 0.8595 1
Schistosoma mansoni RAR-like nuclear receptor 0.0027 0.007 0.0061
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0027 0.007 0.0061
Echinococcus granulosus cytochrome c oxidase subunit II 0.0146 0.0936 0.0977
Schistosoma mansoni carbonic anhydrase-related 0.0516 0.3647 0.3844

Activities

Activity type Activity value Assay description Source Reference
Average dose (functional) = 208.9 ug kg-1 Amount of ouabain needed for production of ventricular extra-systoles at a dose of 2 mg/kg (iv given 5 min prior) in guinea pig ChEMBL. 3806567
Average dose (functional) = 325.3 ug kg-1 Amount of ouabain needed for production of ventricular fibrillation at a dose of 2 mg/kg (iv given 5 min prior) in guinea pig ChEMBL. 3806567
Average dose (functional) = 361 ug kg-1 Amount of ouabain needed for production of ventricular arrhythmias that causes death in guinea pig by cardiac arrest at a dose of 2 mg/kg iv given 5 min prior ChEMBL. 3806567
ED150 (functional) = 1.9 mg kg-1 Effective dose against aconitine-induced arrhythmia after intravenal administration in anesthetized rats ChEMBL. 3806567
LD50 (ADMET) = 15 mg kg-1 Acute toxicity determined after intravenal administration in mice ChEMBL. 3806567
LD50 (ADMET) = 15 mg kg-1 Acute toxicity determined after intravenal administration in mice ChEMBL. 3806567
No. of positive cases (functional) = 10 Incidence of arrhythmias in rats after a intravenal administration at 4mg/kg, expressed as no. of positive cases out of no. of tested cases (10) ChEMBL. 3806567
Relative potency (functional) = 6.3 Relative potency with reference to quinidine ChEMBL. 3806567
Therapeutic index (ADMET) = 7.9 Therapeutic index calculated as the ratio of LD50 in mice to ED 150 in rat when administered intravenously ChEMBL. 3806567

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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