Detailed information for compound 866704

Basic information

Technical information
  • TDR Targets ID: 866704
  • Name: N-(2-chlorophenyl)-2-(2-methoxyethyl)-1-oxo-3 -thiophen-2-yl-3,4-dihydroisoquinoline-4-carb oxamide
  • MW: 440.942 | Formula: C23H21ClN2O3S
  • H donors: 1 H acceptors: 2 LogP: 3.69 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCN1C(=O)c2ccccc2C(C1c1cccs1)C(=O)Nc1ccccc1Cl
  • InChi: 1S/C23H21ClN2O3S/c1-29-13-12-26-21(19-11-6-14-30-19)20(15-7-2-3-8-16(15)23(26)28)22(27)25-18-10-5-4-9-17(18)24/h2-11,14,20-21H,12-13H2,1H3,(H,25,27)
  • InChiKey: ZDGWMSRJHHUECY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-chlorophenyl)-2-(2-methoxyethyl)-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide
  • N-(2-chlorophenyl)-1-keto-2-(2-methoxyethyl)-3-(2-thienyl)-3,4-dihydroisoquinoline-4-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
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0155 0.0705 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0322 0.1595 0.1595
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0032 0.0047 0.0047
Echinococcus multilocularis voltage gated potassium channel 0.0047 0.0127 0.0127
Schistosoma mansoni sodium/chloride dependent transporter 0.0322 0.1595 0.1595
Mycobacterium ulcerans thiamine biosynthesis oxidoreductase ThiO 0.0155 0.0705 0.0718
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.0242 0.0242
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0155 0.0705 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0322 0.1595 0.1595
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0322 0.1595 1
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0155 0.0705 0.0705
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0032 0.0047 0.0047
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0155 0.0705 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0322 0.1595 0.1595
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0069 0.0242 0.3435
Loa Loa (eye worm) hypothetical protein 0.0047 0.0127 0.0127
Echinococcus granulosus hyperpolarization activated cyclic 0.0032 0.0047 0.0047
Echinococcus granulosus sodium and chloride dependent glycine 0.0322 0.1595 0.1595
Loa Loa (eye worm) hypothetical protein 0.0141 0.0627 0.0627
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0155 0.0705 0.5
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0032 0.0047 0.0047
Schistosoma mansoni sodium-dependent amino acid transporter 0.0322 0.1595 0.1595
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0322 0.1595 0.1595
Echinococcus multilocularis serotonin transporter 0.1896 1 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.0705 0.0705
Echinococcus granulosus serotonin transporter 0.1896 1 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0322 0.1595 0.1595
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0322 0.1595 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.0615 0.0615
Onchocerca volvulus 0.0322 0.1595 0.1044
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0162 0.0741 0.0741
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0155 0.0705 0.0096
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0155 0.0705 0.5
Plasmodium falciparum transporter, putative 0.0322 0.1595 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0151 0.0684 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0322 0.1595 0.1595
Brugia malayi RE18450p 0.0155 0.0705 0.0705
Toxoplasma gondii aldehyde dehydrogenase 0.0069 0.0242 0.1519
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0155 0.0705 1
Loa Loa (eye worm) hypothetical protein 0.1896 1 1
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0155 0.0705 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.0705 0.0705
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase GlpD2 0.0155 0.0705 0.0718
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0155 0.0705 0.0705
Leishmania major hypothetical protein, conserved 0.0155 0.0705 1
Echinococcus multilocularis neuropeptide s receptor 0.0522 0.2666 0.2666
Echinococcus multilocularis hyperpolarization activated cyclic 0.0032 0.0047 0.0047
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.1863 0.9824 1
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0127 0.0127
Plasmodium vivax amine transporter, putative 0.0322 0.1595 1
Schistosoma mansoni d-amino acid oxidase 0.1863 0.9824 0.9824
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0151 0.0684 1
Loa Loa (eye worm) hypothetical protein 0.0322 0.1595 0.1595
Brugia malayi Abnormal catecholamine distribution protein 1 0.0184 0.0861 0.0861
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0322 0.1595 0.1595
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0155 0.0705 1
Brugia malayi hypothetical protein 0.0138 0.0615 0.0615
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0155 0.0705 0.0705
Loa Loa (eye worm) abnormal catecholamine distribution protein 1 0.0184 0.0861 0.0861
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0322 0.1595 1
Mycobacterium ulcerans D-amino acid oxidase Aao 0.1863 0.9824 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0322 0.1595 0.1595
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0322 0.1595 0.1595
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0322 0.1595 0.1595
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0322 0.1595 0.1595
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0047 0.0127 0.0127
Loa Loa (eye worm) norepinephrine transporter 0.1896 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0322 0.1595 0.1595
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0047 0.0127 0.0127
Schistosoma mansoni voltage-gated potassium channel 0.0026 0.0012 0.0012
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0155 0.0705 1
Echinococcus granulosus neuropeptide receptor A26 0.0522 0.2666 0.2666
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0322 0.1595 0.1595
Schistosoma mansoni voltage-gated potassium channel 0.0177 0.0821 0.0821
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0069 0.0242 0.0269
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0322 0.1595 0.1595
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0155 0.0705 0.0705
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0032 0.0047 0.0047
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0032 0.0047 0.0047
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0032 0.0047 0.0047
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0155 0.0705 0.0705
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0155 0.0705 0.0705
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0162 0.0741 0.0741
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0155 0.0705 1
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0155 0.0705 0.0705
Schistosoma mansoni fad oxidoreductase 0.0155 0.0705 0.0705
Loa Loa (eye worm) hypothetical protein 0.0322 0.1595 0.1595
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0322 0.1595 0.1595
Loa Loa (eye worm) hypothetical protein 0.0322 0.1595 0.1595
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0322 0.1595 0.1595
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0155 0.0705 1
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0322 0.1595 0.1595
Schistosoma mansoni NAD dehydrogenase 0.0155 0.0705 0.0705
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0155 0.0705 0.0718
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0032 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0155 0.0705 0.0705
Echinococcus multilocularis neuropeptide receptor A26 0.0522 0.2666 0.2666
Mycobacterium leprae Possible thiamine biosynthesis oxidoreductase ThiO 0.0155 0.0705 0.0718
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0032 0.0047 0.0047
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0322 0.1595 0.1595
Echinococcus multilocularis sodium and chloride dependent glycine 0.0322 0.1595 0.1595
Echinococcus granulosus sodium and chloride dependent glycine 0.0322 0.1595 0.1595
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0127 0.0127
Echinococcus granulosus synaptic vesicular amine transporter 0.0184 0.0861 0.0861
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0032 0.0047 0.0047
Schistosoma mansoni 60S ribosomal protein L21 0.0026 0.0012 0.0012
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0155 0.0705 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0032 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0322 0.1595 0.1595
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0155 0.0705 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0032 0.0047 0.0047
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0322 0.1595 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0322 0.1595 0.1595
Schistosoma mansoni voltage-gated potassium channel 0.0177 0.0821 0.0821
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.0242 0.0242
Brugia malayi cDNA sequence BC016226 0.0155 0.0705 0.0705
Brugia malayi Cyclic-nucleotide gated cation channel 0.0032 0.0047 0.0047
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0242 0.0247
Loa Loa (eye worm) serotonin transporter b 0.1896 1 1
Onchocerca volvulus 0.0322 0.1595 0.1044
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0155 0.0705 0.0705
Plasmodium vivax hypothetical protein, conserved 0.0322 0.1595 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0162 0.0741 0.0741
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0155 0.0705 1
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0155 0.0705 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0242 0.0247
Toxoplasma gondii hypothetical protein 0.0322 0.1595 1
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase 0.0155 0.0705 0.0718
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0322 0.1595 0.1595
Onchocerca volvulus Putative fad oxidoreductase 0.0155 0.0705 0.0096
Schistosoma mansoni fad oxidoreductase 0.0155 0.0705 0.0705
Plasmodium falciparum amino acid transporter, putative 0.0322 0.1595 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0047 0.0047
Echinococcus granulosus voltage gated potassium channel 0.0047 0.0127 0.0127
Echinococcus multilocularis hyperpolarization activated cyclic 0.0032 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.1896 1 1
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0032 0.0047 0.0047
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.1708 0.8994 1
Leishmania major hypothetical protein, conserved 0.0155 0.0705 1
Echinococcus granulosus neuropeptide s receptor 0.0522 0.2666 0.2666
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0162 0.0741 0.0741
Loa Loa (eye worm) hypothetical protein 0.0322 0.1595 0.1595
Mycobacterium leprae Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase) 0.0155 0.0705 0.0718
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0322 0.1595 0.1595
Echinococcus multilocularis synaptic vesicular amine transporter 0.0184 0.0861 0.0861
Schistosoma mansoni vesicular amine transporter 0.0184 0.0861 0.0861
Schistosoma mansoni sodium/chloride dependent transporter 0.1896 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0047 0.0127 0.0127
Toxoplasma gondii hypothetical protein 0.0322 0.1595 1
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0032 0.0047 0.0047
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0242 0.0247
Loa Loa (eye worm) hypothetical protein 0.0138 0.0615 0.0615
Mycobacterium tuberculosis Possible thiamine biosynthesis oxidoreductase ThiO 0.0155 0.0705 0.0784
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0069 0.0242 0.0242
Brugia malayi hypothetical protein 0.0322 0.1595 0.1595
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0032 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0322 0.1595 0.1595
Loa Loa (eye worm) solute carrier family 6 member 4 0.1896 1 1
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0155 0.0705 0.4422
Onchocerca volvulus 0.1896 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0069 0.0242 0.0242
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0032 0.0047 0.0047
Treponema pallidum sodium- and chloride- dependent transporter 0.1896 1 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0322 0.1595 0.1595
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0155 0.0705 0.0705
Toxoplasma gondii hypothetical protein 0.0155 0.0705 0.4422
Schistosoma mansoni voltage-gated potassium channel 0.0032 0.0047 0.0047
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0155 0.0705 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0322 0.1595 0.1595
Loa Loa (eye worm) hypothetical protein 0.1896 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1896 1 1
Loa Loa (eye worm) hypothetical protein 0.1863 0.9824 0.9824
Onchocerca volvulus 0.0322 0.1595 0.1044
Loa Loa (eye worm) hypothetical protein 0.0322 0.1595 0.1595
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0155 0.0705 0.0096

Activities

No activities found for this compound.

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.
 
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

No literature references available for this target.

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