Detailed information for compound 1200365

Basic information

Technical information
  • TDR Targets ID: 1200365
  • Name: N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesu lfonamide
  • MW: 330.401 | Formula: C17H18N2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.39 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)NS(=O)(=O)c1ccccc1)N1CCCC1
  • InChi: 1S/C17H18N2O3S/c20-17(19-12-4-5-13-19)14-8-10-15(11-9-14)18-23(21,22)16-6-2-1-3-7-16/h1-3,6-11,18H,4-5,12-13H2
  • InChiKey: OIJXDCBBCIVJMD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(oxo-1-pyrrolidinylmethyl)phenyl]benzenesulfonamide
  • N-(4-pyrrolidin-1-ylcarbonylphenyl)benzenesulfonamide
  • N-[4-(1-pyrrolidinylcarbonyl)phenyl]benzenesulfonamide
  • SMR000078956
  • ZINC00582863
  • MLS000065300

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0171 0.0171
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.4668 0.8837
Echinococcus granulosus sentrin specific protease 8 0.0069 0.263 1
Plasmodium falciparum glutathione reductase 0.0017 0.0171 0.1013
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.169 0.6426
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0171 0.0171
Entamoeba histolytica Flap nuclease, putative 0.0027 0.0646 0.2456
Giardia lamblia Flap structure-specific endonuclease 0.0027 0.0646 1
Schistosoma mansoni flap endonuclease-1 0.0024 0.0523 0.0523
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0171 0.5
Trichomonas vaginalis Sentrin-specific protease, putative 0.0069 0.263 1
Trypanosoma brucei trypanothione reductase 0.0049 0.169 0.169
Leishmania major trypanothione reductase 0.0049 0.169 1
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0171 0.0651
Brugia malayi RNA binding protein 0.006 0.2184 0.8301
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.4668 0.8837
Plasmodium vivax glutathione reductase, putative 0.0049 0.169 1
Trypanosoma brucei RNA helicase, putative 0.0225 1 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.0646 0.3822
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0171 0.1013
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0069 0.263 0.263
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0069 0.263 1
Brugia malayi glutathione reductase 0.0049 0.169 0.6426
Loa Loa (eye worm) RNA binding protein 0.006 0.2184 0.8301
Trichomonas vaginalis flap endonuclease-1, putative 0.0027 0.0646 0.2456
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0171 0.0171
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0171 1
Toxoplasma gondii thioredoxin reductase 0.0049 0.169 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0171 0.1013
Echinococcus granulosus tar DNA binding protein 0.006 0.2184 0.8301
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0171 0.2652
Plasmodium falciparum glutathione reductase 0.0049 0.169 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0171 0.0651
Plasmodium falciparum flap endonuclease 1 0.0027 0.0646 0.3822
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0171 0.1013
Plasmodium falciparum thioredoxin reductase 0.0017 0.0171 0.1013
Schistosoma mansoni tar DNA-binding protein 0.006 0.2184 0.2184
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0171 0.0651
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0171 0.1013
Loa Loa (eye worm) TAR-binding protein 0.006 0.2184 0.8301
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0171 0.1013
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0069 0.263 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0171 0.0171
Echinococcus multilocularis sentrin specific protease 8 0.0069 0.263 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0171 0.0651
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0171 0.1013
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0171 0.0651
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.0646 0.3822
Schistosoma mansoni tar DNA-binding protein 0.006 0.2184 0.2184
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.0646 0.2456
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.526 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.526 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.4668 0.8837
Echinococcus granulosus flap endonuclease 1 0.0027 0.0646 0.2456
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0171 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0171 0.0651
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0069 0.263 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.4668 0.8837
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.169 0.6426
Schistosoma mansoni tar DNA-binding protein 0.006 0.2184 0.2184
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0069 0.263 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0171 0.1013
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.169 0.2985
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.169 0.6426
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.526 1
Treponema pallidum NADH oxidase 0.0017 0.0171 0.5
Echinococcus multilocularis flap endonuclease 1 0.0027 0.0646 0.2456
Brugia malayi Thioredoxin reductase 0.0049 0.169 0.6426
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0171 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0171 0.0171
Brugia malayi TAR-binding protein 0.006 0.2184 0.8301
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0171 0.0651
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.0646 0.2456
Plasmodium falciparum thioredoxin reductase 0.0049 0.169 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0171 0.0651
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0171 0.0651
Brugia malayi RNA recognition motif domain containing protein 0.006 0.2184 0.8301
Schistosoma mansoni tar DNA-binding protein 0.006 0.2184 0.2184
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.526 1
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.169 1
Trypanosoma cruzi hypothetical protein 0.0069 0.263 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0171 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0171 0.0651
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0171 0.0651
Loa Loa (eye worm) glutathione reductase 0.0049 0.169 0.6426
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.4668 0.8837
Schistosoma mansoni tar DNA-binding protein 0.006 0.2184 0.2184
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0171 0.0651
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0171 0.1013
Loa Loa (eye worm) Ulp1 protease 0.0069 0.263 1
Onchocerca volvulus 0.0013 0 0.5
Mycobacterium tuberculosis Probable reductase 0.0112 0.4668 0.8837
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.006 0.2184 0.8301
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0171 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0171 0.0651
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0069 0.263 1
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.0646 0.3822
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.0646 0.0646
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0171 0.1013
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0171 0.1013
Echinococcus multilocularis tar DNA binding protein 0.006 0.2184 0.8301
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.169 0.6426
Brugia malayi Flap endonuclease-1 0.0027 0.0646 0.2456
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0171 0.0651

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference

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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