Detailed information for compound 603584

Basic information

Technical information
  • TDR Targets ID: 603584
  • Name: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2 -yl]-2-phenylsulfonylacetamide
  • MW: 402.487 | Formula: C19H18N2O4S2
  • H donors: 1 H acceptors: 4 LogP: 4.01 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1nc(sc1C)NC(=O)CS(=O)(=O)c1ccccc1
  • InChi: 1S/C19H18N2O4S2/c1-13-18(14-8-10-15(25-2)11-9-14)21-19(26-13)20-17(22)12-27(23,24)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,20,21,22)
  • InChiKey: WSUJFJIWVAFXPW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-2-phenylsulfonyl-acetamide
  • N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]-2-phenylsulfonylacetamide
  • N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenylsulfonyl-ethanamide
  • ZINC04496379

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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.9531 0.9531
Brugia malayi intermediate filament protein 0.0028 0.3728 0.3728
Entamoeba histolytica hypothetical protein 0.0036 0.6201 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.6201 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.5475 0.5642
Schistosoma mansoni intermediate filament proteins 0.0028 0.3728 0.3766
Loa Loa (eye worm) hypothetical protein 0.0028 0.3728 0.3728
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.9531 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 1 1
Schistosoma mansoni lamin 0.0028 0.3728 0.3766
Echinococcus granulosus lamin 0.0028 0.3728 0.3766
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0224 0.0224
Echinococcus multilocularis lamin 0.0028 0.3728 0.3766
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.9531 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0224 0.0224
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.6201 0.6422
Echinococcus multilocularis lamin dm0 0.0028 0.3728 0.3766
Echinococcus granulosus lamin dm0 0.0028 0.3728 0.3766
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0224 0.0224
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.9531 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.3581 0.3581
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.6201 0.6422
Onchocerca volvulus 0.0028 0.3728 0.5
Echinococcus granulosus intermediate filament protein 0.0028 0.3728 0.3766
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.9531 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.9531 0.9531
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.9531 1
Schistosoma mansoni hypothetical protein 0.0036 0.6201 0.6422
Echinococcus multilocularis musashi 0.0028 0.3728 0.3766
Loa Loa (eye worm) intermediate filament protein 0.0028 0.3728 0.3728
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.5475 0.5475
Loa Loa (eye worm) hypothetical protein 0.0049 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.9531 1
Schistosoma mansoni lamin 0.0028 0.3728 0.3766
Entamoeba histolytica hypothetical protein 0.0036 0.6201 0.5
Onchocerca volvulus 0.0028 0.3728 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.3728 0.3728
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.9531 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.3728 0.3728
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.6201 0.6422
Brugia malayi hypothetical protein 0.0036 0.6201 0.6201
Entamoeba histolytica hypothetical protein 0.0036 0.6201 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.5475 0.5475
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0224 0.0224

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence. ChEMBL. 22096101
CC50 (functional) > 100 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 > 100 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.505 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.505 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) = 2.305 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 2.305 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0 IFI promiscuity index Novartis-GNF Malaria Box. No reference
Inhibition (functional) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 1.25 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 4.92 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 7 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 8.8 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 82 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 99 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 1.72 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -9 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 7 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 82 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 99 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.22 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.59634 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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

1 literature reference was collected for this gene.

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