Detailed information for compound 848750

Basic information

Technical information
  • TDR Targets ID: 848750
  • Name: 6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2 -(4-phenylpiperazin-1-yl)ethyl]quinazolin-4-o ne
  • MW: 509.62 | Formula: C26H31N5O4S
  • H donors: 0 H acceptors: 4 LogP: 2.44 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC1CCN(CC1)S(=O)(=O)c1ccc2c(c1)c(=O)n(cn2)CC(=O)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C26H31N5O4S/c1-20-9-11-31(12-10-20)36(34,35)22-7-8-24-23(17-22)26(33)30(19-27-24)18-25(32)29-15-13-28(14-16-29)21-5-3-2-4-6-21/h2-8,17,19-20H,9-16,18H2,1H3
  • InChiKey: FQVYLNUVABDYHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[(4-methyl-1-piperidyl)sulfonyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinazolin-4-one
  • 6-[(4-methyl-1-piperidinyl)sulfonyl]-3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-4-quinazolinone
  • 3-[2-keto-2-(4-phenylpiperazin-1-yl)ethyl]-6-[(4-methyl-1-piperidyl)sulfonyl]quinazolin-4-one
  • EU-0087344

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 granulosus lysosomal alpha glucosidase 0.016 0.1212 0.1212
Echinococcus multilocularis excitatory amino acid transporter 2 0.1189 1 1
Treponema pallidum glutamate transporter 0.0527 0.4344 1
Echinococcus multilocularis muscleblind protein 1 0.0296 0.2372 0.2372
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0613 0.0613
Leishmania major hypothetical protein, conserved 0.0035 0.0143 0.1012
Mycobacterium ulcerans aldehyde dehydrogenase 0.0184 0.1417 1
Schistosoma mansoni aldehyde dehydrogenase 0.0184 0.1417 0.1417
Echinococcus multilocularis Excitatory amino acid transporter 0.1189 1 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0035 0.0143 0.0143
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0145 0.0145
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0145 0.1021
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0845 0.0845
Echinococcus multilocularis neutral amino acid transporter A 0.1189 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0145 1
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0143 0.0143
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0143 0.0143
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0145 0.0145
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0527 0.4344 0.4344
Echinococcus multilocularis excitatory amino acid transporter 3 0.1189 1 1
Trichomonas vaginalis ran, putative 0.0021 0.0021 0.1484
Echinococcus granulosus importin subunit beta 1 0.0029 0.0086 0.0086
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0613 0.0613
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0145 1
Brugia malayi beta-lactamase family protein 0.0035 0.0143 0.0143
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0145 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0145 0.0145
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0145 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0143 0.9914
Schistosoma mansoni importin beta-1 0.0029 0.0086 0.0086
Trichomonas vaginalis esterase, putative 0.0035 0.0143 0.9914
Mycobacterium ulcerans hypothetical protein 0.0035 0.0143 0.1012
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0035 0.0143 0.0143
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0145 1
Echinococcus granulosus sodium:dicarboxylate symporter 0.1189 1 1
Schistosoma mansoni ran 0.0021 0.0021 0.0021
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0145 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.004 0.2757
Schistosoma mansoni hypothetical protein 0.0168 0.1278 0.1278
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.0613 0.0613
Loa Loa (eye worm) beta-lactamase 0.0035 0.0143 0.0143
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0527 0.4344 0.4344
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0143 0.1012
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0143 0.1012
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0184 0.1417 0.1417
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0021 0.0021
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0143 0.0143
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0021 0.2485
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0145 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0143 0.5
Plasmodium vivax importin-beta 2, putative 0.0029 0.0086 0.6024
Mycobacterium ulcerans beta-lactamase 0.0035 0.0143 0.1012
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0143 0.0143
Onchocerca volvulus 0.0093 0.0633 0.0497
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1212 0.1212
Echinococcus granulosus muscleblind protein 0.0296 0.2372 0.2372
Echinococcus multilocularis Excitatory amino acid transporter 0.1189 1 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0021 0.1497
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0029 0.0086 0.0086
Brugia malayi Muscleblind-like protein 0.0296 0.2372 0.2372
Entamoeba histolytica hypothetical protein 0.0023 0.004 0.2757
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0145 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.0686 0.0686
Leishmania major importin beta-1 subunit, putative 0.0023 0.004 0.0281
Schistosoma mansoni hypothetical protein 0.0068 0.0419 0.0419
Brugia malayi beta-lactamase 0.0035 0.0143 0.0143
Echinococcus granulosus Excitatory amino acid transporter 0.1189 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0143 0.9914
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.1189 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0184 0.1417 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0143 0.9914
Loa Loa (eye worm) excitatory amino acid transporter 0.1189 1 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0143 0.0143
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0143 0.0143
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1212 0.1212
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.1189 1 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0021 0.1484
Echinococcus multilocularis snurportin 1 0.0307 0.2466 0.2466
Brugia malayi Importin beta-1 subunit 0.0029 0.0086 0.0086
Echinococcus granulosus geminin 0.0168 0.1278 0.1278
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0021 0.0151
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0108 0.0108
Schistosoma mansoni microtubule-associated protein tau 0.0685 0.5694 0.5694
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0108 0.0108
Echinococcus multilocularis geminin 0.0168 0.1278 0.1278
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0143 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0143 0.9914
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0086 0.5972
Toxoplasma gondii aldehyde dehydrogenase 0.0184 0.1417 1
Schistosoma mansoni alpha-glucosidase 0.0138 0.1021 0.1021
Echinococcus multilocularis excitatory amino acid transporter 2 0.1189 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0613 0.0613
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0143 0.0143
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0086 0.0086
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0143 0.0143
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0108 0.0108
Brugia malayi follicle stimulating hormone receptor 0.0228 0.179 0.179
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0143 0.9914
Loa Loa (eye worm) hypothetical protein 0.0035 0.0143 0.0143
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0145 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0021 1
Entamoeba histolytica Ran family GTPase 0.0021 0.0021 0.1484
Echinococcus granulosus neutral amino acid transporter A 0.1189 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0184 0.1417 1
Trichomonas vaginalis importin beta-1, putative 0.0023 0.004 0.2757
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.1212 0.1212
Schistosoma mansoni hypothetical protein 0.0031 0.0108 0.0108
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.1776 0.1776
Echinococcus granulosus snurportin 1 0.0307 0.2466 0.2466
Echinococcus granulosus excitatory amino acid transporter 2 0.1189 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0686 0.0686
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.0845 0.0845
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0184 0.1417 0.1417
Mycobacterium leprae Probable lipase LipE 0.0035 0.0143 0.5
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0021 0.1484
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.0613 0.0613
Loa Loa (eye worm) hypothetical protein 0.0035 0.0143 0.0143
Echinococcus granulosus microtubule associated protein 2 0.0685 0.5694 0.5694
Brugia malayi RNA, U transporter 1 0.0082 0.054 0.054
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0613 0.0613
Leishmania major GTP-binding protein, putative 0.0021 0.0021 0.0151
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 0.179 0.179
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0527 0.4344 0.4344
Mycobacterium tuberculosis Conserved protein 0.0035 0.0143 0.0143
Mycobacterium tuberculosis Conserved protein 0.0035 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0035 0.0143 0.0143
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0145 1
Echinococcus multilocularis sodium:dicarboxylate symporter 0.1189 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.004 0.2757
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0613 0.0613
Echinococcus granulosus GPCR family 2 0.0031 0.0108 0.0108
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0143 0.0143
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0035 0.0143 0.0143
Echinococcus granulosus excitatory amino acid transporter 3 0.1189 1 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0021 0.0021
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0184 0.1417 1
Schistosoma mansoni hypothetical protein 0.0168 0.1278 0.1278
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0086 0.5972
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0145 0.1021
Onchocerca volvulus Excitatory amino acid transporter homolog 0.1189 1 1
Echinococcus granulosus excitatory amino acid transporter 2 0.1189 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0685 0.5694 0.5694
Echinococcus multilocularis GPCR, family 2 0.0031 0.0108 0.0108
Schistosoma mansoni hypothetical protein 0.0307 0.2466 0.2466
Loa Loa (eye worm) hypothetical protein 0.0296 0.2372 0.2372
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0145 1
Loa Loa (eye worm) hypothetical protein 0.0296 0.2372 0.2372
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0108 0.0108
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0184 0.1417 0.1417
Echinococcus granulosus Excitatory amino acid transporter 0.1189 1 1
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0527 0.4344 0.4344
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0613 0.0613
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0021 0.1484
Echinococcus multilocularis neutral amino acid transporter A 0.1189 1 1
Plasmodium falciparum importin beta, putative 0.0029 0.0086 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0613 0.0613
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0108 0.0108
Treponema pallidum glutamate/aspartate transporter 0.0527 0.4344 1
Toxoplasma gondii ABC1 family protein 0.0035 0.0143 0.1012
Echinococcus multilocularis neutral amino acid transporter A 0.1189 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0143 0.9914
Schistosoma mansoni hypothetical protein 0.0031 0.0108 0.0108
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0145 0.0145
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0143 0.0143
Schistosoma mansoni hypothetical protein 0.0031 0.0108 0.0108
Trypanosoma brucei glucosidase, putative 0.0036 0.0145 1
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0086 0.061
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0021 0.0021
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0143 0.9914
Loa Loa (eye worm) hypothetical protein 0.0031 0.0108 0.0108
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0686 0.0686
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.004 0.2757
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0143 0.0143
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0307 0.2466 0.2466
Echinococcus multilocularis muscleblind protein 0.0296 0.2372 0.2372
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0686 0.0686
Loa Loa (eye worm) hypothetical protein 0.0068 0.0419 0.0419
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0145 1
Echinococcus granulosus neutral amino acid transporter 0.1189 1 1
Brugia malayi MH2 domain containing protein 0.0118 0.0845 0.0845
Schistosoma mansoni aldehyde dehydrogenase 0.0184 0.1417 0.1417
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0143 0.9914
Schistosoma mansoni alpha glucosidase 0.0036 0.0145 0.0145
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.1189 1 1
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0108 0.0108
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.1212 0.1212
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.1189 1 1
Echinococcus granulosus neutral amino acid transporter A 0.1189 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0145 1
Schistosoma mansoni hypothetical protein 0.0031 0.0108 0.0108
Brugia malayi beta-lactamase family protein 0.0035 0.0143 0.0143
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0143 0.0143
Chlamydia trachomatis glutamate symporter 0.1189 1 1
Schistosoma mansoni ran 0.0021 0.0021 0.0021
Mycobacterium ulcerans lipase LipD 0.0035 0.0143 0.1012
Schistosoma mansoni alpha-glucosidase 0.0138 0.1021 0.1021
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0419 0.0419

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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