Detailed information for compound 628139

Basic information

Technical information
  • TDR Targets ID: 628139
  • Name: 3-[(2-methylphenyl)sulfonylamino]-3-phenylpro panoic acid
  • MW: 319.375 | Formula: C16H17NO4S
  • H donors: 2 H acceptors: 4 LogP: 2.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CC(c1ccccc1)NS(=O)(=O)c1ccccc1C
  • InChi: 1S/C16H17NO4S/c1-12-7-5-6-10-15(12)22(20,21)17-14(11-16(18)19)13-8-3-2-4-9-13/h2-10,14,17H,11H2,1H3,(H,18,19)
  • InChiKey: GCGWWUMSWFCKHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(2-methylphenyl)sulfonylamino]-3-phenyl-propanoic acid
  • 3-[(2-methylphenyl)sulfonylamino]-3-phenyl-propionic acid

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
Loa Loa (eye worm) hypothetical protein 0.0038 0.0662 0.0645
Echinococcus multilocularis CAAX prenyl protease 2 0.0094 0.2635 0.2621
Schistosoma mansoni importin beta-1 0.0028 0.0316 0.0298
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0127 0.1912
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0473 0.1736
Loa Loa (eye worm) hypothetical protein 0.0033 0.0473 0.0455
Loa Loa (eye worm) glutathione reductase 0.005 0.1084 0.1068
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0127 0.2677
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0662 0.1457
Schistosoma mansoni pyruvate kinase 0.0033 0.0473 0.0455
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0662 0.0645
Leishmania major pyruvate kinase 0.0033 0.0473 0.1736
Trypanosoma cruzi CAAX prenyl protease 1, putative 0.007 0.1774 0.6709
Loa Loa (eye worm) thioredoxin reductase 0.005 0.1084 0.1068
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0127 0.1168
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0473 0.7142
Mycobacterium tuberculosis Probable reductase 0.0114 0.3351 0.423
Mycobacterium leprae Probable lipase LipE 0.0038 0.0662 0.1457
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.007 0.1774 0.6709
Entamoeba histolytica hypothetical protein 0.0023 0.0127 0.048
Brugia malayi CAAX amino terminal protease family protein 0.0094 0.2635 0.9652
Toxoplasma gondii exonuclease III APE 0.002 0.0019 0.0105
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0662 0.2459
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0052 0.0122
Echinococcus multilocularis geminin 0.0174 0.5455 0.5446
Mycobacterium ulcerans hypothetical protein 0.0038 0.0662 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0662 0.2459
Trichomonas vaginalis ran, putative 0.0021 0.0052 0.0126
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.3351 0.423
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0473 0.4362
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0127 0.0413
Trypanosoma brucei metallo- peptidase, Clan M- Family M48 0.007 0.1774 0.6709
Leishmania major hypothetical protein, conserved 0.0038 0.0662 0.2459
Plasmodium falciparum pyruvate kinase 0.0033 0.0473 0.4362
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0662 0.0836
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0094 0.2635 1
Leishmania major pyruvate kinase 0.0033 0.0473 0.1736
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0019 0.007
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0052 0.0126
Entamoeba histolytica CAAX prenyl protease, putative 0.007 0.1774 0.6732
Plasmodium falciparum thioredoxin reductase 0.005 0.1084 1
Echinococcus granulosus caax prenyl protease 1 0.007 0.1774 0.1759
Loa Loa (eye worm) hypothetical protein 0.0082 0.2201 0.2186
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0052 0.0126
Brugia malayi Thioredoxin reductase 0.005 0.1084 0.393
Echinococcus granulosus pyruvate kinase 0.0033 0.0473 0.0455
Echinococcus multilocularis pyruvate kinase 0.0033 0.0473 0.0455
Entamoeba histolytica hypothetical protein 0.0023 0.0127 0.048
Loa Loa (eye worm) beta-lactamase 0.0038 0.0662 0.0645
Brugia malayi beta-lactamase 0.0038 0.0662 0.2374
Onchocerca volvulus 0.0038 0.0662 0.0838
Schistosoma mansoni ran 0.0021 0.0052 0.0033
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0122 0.0104
Mycobacterium tuberculosis Conserved protein 0.0038 0.0662 0.0836
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0662 0.0645
Loa Loa (eye worm) hypothetical protein 0.0028 0.0316 0.0298
Loa Loa (eye worm) hypothetical protein 0.0038 0.0662 0.0645
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0473 0.1736
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0127 0.3801 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0662 0.2459
Trypanosoma brucei CAAX amino terminal protease, putative 0.0094 0.2635 1
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0473 0.1736
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0473 0.1676
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0316 0.178
Echinococcus multilocularis pyruvate kinase 0.0033 0.0473 0.0455
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0127 0.0416
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0094 0.2635 1
Onchocerca volvulus 0.0038 0.0662 0.0838
Echinococcus multilocularis caax prenyl protease 1 0.007 0.1774 0.1759
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0662 0.0645
Mycobacterium ulcerans lipase LipD 0.0038 0.0662 1
Toxoplasma gondii ABC1 family protein 0.0038 0.0662 0.3732
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0127 0.0413
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.3351 0.423
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0473 0.1736
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0052 0.0126
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.2201 0.805
Trichomonas vaginalis esterase, putative 0.0038 0.0662 0.2459
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0127 0.0413
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0019 0.0023
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0094 0.2635 0.2621
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0662 0.2459
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0662 0.2459
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0473 0.2665
Loa Loa (eye worm) hypothetical protein 0.0094 0.2635 0.2621
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0114 0.3351 0.8774
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0662 0.2459
Mycobacterium tuberculosis Probable oxidoreductase 0.0127 0.3801 0.4798
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0662 0.0645
Loa Loa (eye worm) hypothetical protein 0.0038 0.0662 0.0645
Mycobacterium tuberculosis Conserved protein 0.0038 0.0662 0.0836
Leishmania major GTP-binding protein, putative 0.0021 0.0052 0.0126
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0127 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.1084 0.1369
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0019 0.1467
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0052 0.0033
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.0473 0.0942
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0662 0.2459
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0127 0.0413
Brugia malayi glutathione reductase 0.005 0.1084 0.393
Leishmania major CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 0.007 0.1774 0.6709
Giardia lamblia Pyruvate kinase 0.0033 0.0473 0.1736
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0019 0.0281
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0127 0.0714
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0127 0.0413
Mycobacterium ulcerans beta-lactamase 0.0038 0.0662 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.2201 0.2186
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0094 0.2635 1
Schistosoma mansoni hypothetical protein 0.0174 0.5455 0.5446
Plasmodium vivax thioredoxin reductase, putative 0.005 0.1084 1
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0662 0.6107
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0052 0.0475
Loa Loa (eye worm) hypothetical protein 0.0038 0.0662 0.0645
Echinococcus granulosus CAAX prenyl protease 2 0.0094 0.2635 0.2621
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0127 1
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.007 0.1774 0.6709
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0316 0.1136
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.2201 0.2186
Loa Loa (eye worm) hypothetical protein 0.0038 0.0662 0.0645
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0094 0.2635 0.2621
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0097 0.2729 0.2716
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0302 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0243 0.7922 1
Toxoplasma gondii thioredoxin reductase 0.005 0.1084 0.6111
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0127 0.0413
Echinococcus multilocularis snurportin 1 0.0302 1 1
Echinococcus granulosus geminin 0.0174 0.5455 0.5446
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0316 0.1136
Brugia malayi beta-lactamase family protein 0.0038 0.0662 0.2374
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0019 0.0171
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0662 0.0836
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0127 0.3801 0.4798
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0473 0.1736
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0662 0.2374
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0127 0.0416
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.3351 0.423
Entamoeba histolytica Ran family GTPase 0.0021 0.0052 0.0196
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0097 0.2729 0.2716
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0127 0.0714
Echinococcus multilocularis pyruvate kinase 0.0026 0.0229 0.0211
Brugia malayi Peptidase family M48 containing protein 0.007 0.1774 0.6475
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0052 0.0033
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0052 0.0033
Onchocerca volvulus 0.0038 0.0662 0.0838
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0052 0.0291
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0127 0.016
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0473 0.1676
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0662 0.0836
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0122 0.0465
Brugia malayi Trypsin family protein 0.0097 0.2729 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0662 0.0645
Plasmodium vivax importin-beta 2, putative 0.0028 0.0316 0.2913
Chlamydia trachomatis pyruvate kinase 0.0033 0.0473 1
Toxoplasma gondii CAAX metallo endopeptidase 0.007 0.1774 1
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0662 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0127 0.3801 0.4798
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0094 0.2635 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0019 0.0171
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0473 0.0597
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.3351 0.423
Leishmania major importin beta-1 subunit, putative 0.0023 0.0127 0.0413
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.1084 0.1068
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0316 0.0298
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.3351 0.423
Loa Loa (eye worm) hypothetical protein 0.0023 0.0122 0.0104
Brugia malayi RNA, U transporter 1 0.0081 0.2161 0.7904
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.1084 0.1068
Loa Loa (eye worm) hypothetical protein 0.0097 0.2729 0.2716
Schistosoma mansoni farnesylated-protein converting enzyme 1 (M48 family) 0.007 0.1774 0.1759
Schistosoma mansoni hypothetical protein 0.0302 1 1
Plasmodium falciparum importin beta, putative 0.0028 0.0316 0.2913
Trypanosoma cruzi metallo- peptidase, Clan M- Family M48 0.007 0.1774 0.6709
Echinococcus granulosus pyruvate kinase 0.0033 0.0473 0.0455
Onchocerca volvulus 0.0097 0.2729 1
Onchocerca volvulus 0.0082 0.2201 0.7658
Loa Loa (eye worm) hypothetical protein 0.0097 0.2729 0.2716
Leishmania major trypanothione reductase 0.005 0.1084 0.4072
Onchocerca volvulus 0.009 0.2507 0.9014
Schistosoma mansoni hypothetical protein 0.0174 0.5455 0.5446
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0473 0.0455
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0473 0.0455
Schistosoma mansoni pyruvate kinase 0.0033 0.0473 0.0455
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0127 0.1168
Brugia malayi Importin beta-1 subunit 0.0028 0.0316 0.1096
Trypanosoma brucei trypanothione reductase 0.005 0.1084 0.4072
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0473 0.1736
Loa Loa (eye worm) peptidase family M48 containing protein 0.007 0.1774 0.1759
Plasmodium vivax glutathione reductase, putative 0.005 0.1084 1
Plasmodium falciparum glutathione reductase 0.005 0.1084 1
Echinococcus granulosus importin subunit beta 1 0.0028 0.0316 0.0298
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0662 0.0836
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.1084 0.4072
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0662 0.0836
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0473 0.0455
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0052 0.0475
Brugia malayi beta-lactamase family protein 0.0038 0.0662 0.2374
Mycobacterium tuberculosis Conserved protein 0.0038 0.0662 0.0836
Entamoeba histolytica CAAX prenyl protease family 0.0094 0.2635 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0662 0.0836
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0662 1
Giardia lamblia Hypothetical protein 0.0094 0.2635 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0662 0.0645
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0127 0.1912
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.2201 0.2186
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0052 0.0126
Schistosoma mansoni ran 0.0021 0.0052 0.0033
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0662 0.0836
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0662 0.2459

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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