Detailed information for compound 721995

Basic information

Technical information
  • TDR Targets ID: 721995
  • Name: 2-[(4-methoxyphenyl)-phenylsulfonylamino]-N-( 2-methyl-6-propan-2-ylphenyl)acetamide
  • MW: 452.566 | Formula: C25H28N2O4S
  • H donors: 1 H acceptors: 3 LogP: 4.99 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N(S(=O)(=O)c1ccccc1)CC(=O)Nc1c(C)cccc1C(C)C
  • InChi: 1S/C25H28N2O4S/c1-18(2)23-12-8-9-19(3)25(23)26-24(28)17-27(20-13-15-21(31-4)16-14-20)32(29,30)22-10-6-5-7-11-22/h5-16,18H,17H2,1-4H3,(H,26,28)
  • InChiKey: SCSFRLBRFNTNDF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-isopropyl-6-methyl-phenyl)-2-[(4-methoxyphenyl)-phenylsulfonyl-amino]acetamide
  • N-(2-isopropyl-6-methylphenyl)-2-[(4-methoxyphenyl)-phenylsulfonylamino]acetamide
  • 2-[(4-methoxyphenyl)-phenylsulfonyl-amino]-N-(2-methyl-6-propan-2-yl-phenyl)ethanamide
  • ZINC01118131

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 multilocularis mitogen activated protein kinase 0.0055 0.2601 0.2601
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.4378 0.8837
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0173 0.032
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.2601 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.1311 0.2428
Leishmania major trypanothione reductase 0.0037 0.1593 0.585
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.1311 0.1311
Toxoplasma gondii thioredoxin reductase 0.0037 0.1593 0.585
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.1593 0.2985
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.2601 0.2601
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.4378 0.8837
Brugia malayi glutathione reductase 0.0037 0.1593 0.2952
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.2601 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0013 0.0173 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.1311 0.1311
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.5397 1
Trypanosoma brucei trypanothione reductase 0.0037 0.1593 0.585
Trypanosoma brucei protein kinase, putative 0.0055 0.2601 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Plasmodium falciparum thioredoxin reductase 0.0037 0.1593 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.4378 0.8837
Echinococcus granulosus GPCR family 2 0.0033 0.1311 0.1311
Schistosoma mansoni hypothetical protein 0.0033 0.1311 0.1311
Loa Loa (eye worm) glutathione reductase 0.0037 0.1593 0.2952
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.4932 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.1311 0.1311
Brugia malayi Latrophilin receptor protein 2 0.0033 0.1311 0.2428
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.1311 0.1311
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.1593 0.585
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0.2601 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.1311 0.1311
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0095 0.4932 1
Brugia malayi MAP kinase sur-1 0.0055 0.2601 0.4819
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.2601 0.2601
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0013 0.0173 0.5
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0013 0.0173 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0.2601 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0173 0.0173
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0.0173 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.2601 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0095 0.4932 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0173 0.0173
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0173 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0173 0.5
Echinococcus multilocularis GPCR, family 2 0.0033 0.1311 0.1311
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.5397 1
Schistosoma mansoni hypothetical protein 0.007 0.3506 0.3506
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.1311 0.2428
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.2601 0.2601
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.2601 1
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.1593 0.2952
Giardia lamblia Kinase, CMGC MAPK 0.0055 0.2601 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0.2601 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5397 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.1311 0.2428
Schistosoma mansoni hypothetical protein 0.0182 1 1
Treponema pallidum NADH oxidase 0.0013 0.0173 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.2601 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.2601 0.2601
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0.2601 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.2601 0.4819
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.2601 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.4378 0.8837
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.1622 0.1622
Mycobacterium tuberculosis Probable reductase 0.0085 0.4378 0.8837
Brugia malayi Thioredoxin reductase 0.0037 0.1593 0.2952
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0173 0.0173
Onchocerca volvulus 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.3506 0.6495
Plasmodium vivax glutathione reductase, putative 0.0037 0.1593 1
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.3506 0.6495
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0.2601 1
Plasmodium falciparum glutathione reductase 0.0037 0.1593 1
Schistosoma mansoni hypothetical protein 0.0033 0.1311 0.1311
Schistosoma mansoni hypothetical protein 0.0033 0.1311 0.1311
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0.2601 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.1622 0.1622
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.4932 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.4378 0.8837
Echinococcus multilocularis geminin 0.0182 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.1593 1
Schistosoma mansoni hypothetical protein 0.0182 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.5397 1

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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