Detailed information for compound 1294477

Basic information

Technical information
  • TDR Targets ID: 1294477
  • Name: 1-(4-acetamidophenyl)sulfonylpiperidine-4-car boxylic acid
  • MW: 326.368 | Formula: C14H18N2O5S
  • H donors: 2 H acceptors: 5 LogP: 0.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)O
  • InChi: 1S/C14H18N2O5S/c1-10(17)15-12-2-4-13(5-3-12)22(20,21)16-8-6-11(7-9-16)14(18)19/h2-5,11H,6-9H2,1H3,(H,15,17)(H,18,19)
  • InChiKey: ZIGSKXXFCYUAMO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-acetamidophenyl)sulfonyl-4-piperidinecarboxylic acid
  • 1-(4-acetamidophenyl)sulfonylisonipecotic acid
  • MLS000713650
  • SMR000273131
  • Oprea1_210238
  • Oprea1_830831
  • ST5046387
  • 1-(4-Acetylamino-benzenesulfonyl)-piperidine-4-carboxylic acid
  • BAS 02235562

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
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0308 0.0208
Schistosoma mansoni hypothetical protein 0.0065 0.1433 0.1344
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.015 0.0049
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0102 0.0116
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.015 0.0049
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.1433 0.1344
Schistosoma mansoni hypothetical protein 0.0141 0.3767 0.3703
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0102 0.0116
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0308 0.0208
Loa Loa (eye worm) glutaminase 0.0305 0.8816 0.8804
Brugia malayi Pre-SET motif family protein 0.0029 0.0308 0.0349
Echinococcus multilocularis muscleblind protein 1 0.0144 0.386 0.3796
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.015 0.4044 0.3983
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0412 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0102 0.0116
Loa Loa (eye worm) hypothetical protein 0.0029 0.0308 0.0208
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0102 0.0116
Brugia malayi RNA, U transporter 1 0.0092 0.2239 0.254
Schistosoma mansoni glutaminase 0.0305 0.8816 0.8804
Brugia malayi Latrophilin receptor protein 2 0.0065 0.1433 0.1625
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.015 0.4044 0.3983
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0225 0.0086
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1303 0.1214
Leishmania major importin beta-1 subunit, putative 0.0026 0.0225 0.4433
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.015 0.4044 0.3983
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0318 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0318 0.6398
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.1433 0.1344
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0102 0.0116
Brugia malayi Calcitonin receptor-like protein seb-1 0.0207 0.5779 0.6555
Brugia malayi MH2 domain containing protein 0.0142 0.38 0.4311
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0275 0.0175
Brugia malayi steroid hormone receptor 0.0022 0.0102 0.0116
Trichomonas vaginalis set domain proteins, putative 0.0229 0.6459 0.7281
Loa Loa (eye worm) MH2 domain-containing protein 0.0142 0.38 0.3736
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.1303 0.1478
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1303 0.1214
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.1433 0.1344
Loa Loa (eye worm) hypothetical protein 0.0032 0.0412 0.0313
Schistosoma mansoni hypothetical protein 0.0065 0.1433 0.1344
Schistosoma mansoni hypothetical protein 0.0344 0.9988 0.9988
Brugia malayi Importin beta-1 subunit 0.0032 0.0412 0.0467
Plasmodium falciparum importin beta, putative 0.0032 0.0412 1
Loa Loa (eye worm) glutaminase 2 0.0305 0.8816 0.8804
Brugia malayi latrophilin 2 splice variant baaae 0.0141 0.3767 0.4273
Plasmodium vivax importin-beta 2, putative 0.0032 0.0412 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.386 0.3796
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0412 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0102 0.0116
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.015 0.4044 0.3983
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.1433 0.1344
Schistosoma mansoni ran 0.0024 0.015 0.0049
Loa Loa (eye worm) hypothetical protein 0.0207 0.5779 0.5735
Schistosoma mansoni hypothetical protein 0.0065 0.1433 0.1344
Echinococcus multilocularis GPCR, family 2 0.0065 0.1433 0.1344
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0308 0.0208
Brugia malayi nuclear receptor NHR-88 0.0022 0.0102 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0102 0.0116
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0318 0.6398
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0318 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.1303 0.1214
Entamoeba histolytica hypothetical protein 0.0026 0.0225 1
Brugia malayi nuclear hormone receptor 0.0022 0.0102 0.0116
Brugia malayi Muscleblind-like protein 0.0144 0.386 0.4378
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0225 0.4433
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.015 0.4044 0.3983
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0318 0.6398
Loa Loa (eye worm) hypothetical protein 0.0065 0.1433 0.1344
Echinococcus granulosus tar DNA binding protein 0.0061 0.1303 0.1214
Brugia malayi glutaminase DH11.1 0.0305 0.8816 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0207 0.5779 0.5735
Loa Loa (eye worm) hypothetical protein 0.0141 0.3767 0.3703
Onchocerca volvulus 0.0029 0.0308 0.0324
Brugia malayi hypothetical protein 0.0029 0.0318 0.0361
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1303 0.1214
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0102 0.0116
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1303 0.1214
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0102 0.0116
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.015 0.4044 0.3983
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.015 0.0171
Brugia malayi ecdysteroid receptor 0.0022 0.0102 0.0116
Plasmodium vivax SET domain protein, putative 0.0029 0.0308 0.6026
Schistosoma mansoni hypothetical protein 0.0344 0.9988 0.9988
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0102 0.0116
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0308 0.0208
Brugia malayi TAR-binding protein 0.0061 0.1303 0.1478
Echinococcus granulosus geminin 0.0344 0.9988 0.9988
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0102 0.0116
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0225 0.0086
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0318 0.6398
Loa Loa (eye worm) TAR-binding protein 0.0061 0.1303 0.1214
Echinococcus multilocularis geminin 0.0344 0.9988 0.9988
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.015 0.4044 0.3983
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0308 0.0208
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0225 0.0086
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.015 0.4044 0.4587
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0308 0.6026
Loa Loa (eye worm) RNA binding protein 0.0061 0.1303 0.1214
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.015 0.5
Onchocerca volvulus 0.0229 0.6459 1
Schistosoma mansoni hypothetical protein 0.0065 0.1433 0.1344
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.015 0.4044 0.3983
Echinococcus multilocularis muscleblind protein 0.0144 0.386 0.3796
Echinococcus granulosus muscleblind protein 0.0144 0.386 0.3796
Echinococcus granulosus importin subunit beta 1 0.0032 0.0412 0.0313
Schistosoma mansoni ran 0.0024 0.015 0.0049
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0308 0.0208
Echinococcus granulosus GPCR family 2 0.0065 0.1433 0.1344
Brugia malayi RNA binding protein 0.0061 0.1303 0.1478
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0102 0.0116
Trichomonas vaginalis glutaminase, putative 0.0305 0.8816 1
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0412 0.0313
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.5605 0.556
Brugia malayi Pre-SET motif family protein 0.0201 0.5605 0.6358
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0412 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1303 0.1214
Schistosoma mansoni importin beta-1 0.0032 0.0412 0.0313
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.015 0.0049
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0102 0.0116
Leishmania major hypothetical protein, conserved 0.0029 0.0318 1
Echinococcus multilocularis tar DNA binding protein 0.0061 0.1303 0.1214
Loa Loa (eye worm) transcription factor SMAD2 0.0142 0.38 0.3736
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0308 0.0208
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0318 0.6398
Loa Loa (eye worm) hypothetical protein 0.0144 0.386 0.3796
Mycobacterium ulcerans glutaminase 0.0305 0.8816 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0102 0.0116
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.1433 0.1625
Loa Loa (eye worm) hypothetical protein 0.0029 0.0318 0.0218
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0207 0.5779 0.6555
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0102 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0102 0.0116
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.1433 0.1344

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1853 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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