Detailed information for compound 1406908

Basic information

Technical information
  • TDR Targets ID: 1406908
  • Name: N-(4-acetamidophenyl)-3-[(3-methyl-2-oxo-1,3- benzoxazol-6-yl)sulfonyl]propanamide
  • MW: 417.436 | Formula: C19H19N3O6S
  • H donors: 2 H acceptors: 5 LogP: 0.54 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)NC(=O)C)CCS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
  • InChi: 1S/C19H19N3O6S/c1-12(23)20-13-3-5-14(6-4-13)21-18(24)9-10-29(26,27)15-7-8-16-17(11-15)28-19(25)22(16)2/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,24)
  • InChiKey: ZROPWMQAWQBCGU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[3-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonyl]propanoylamino]phenyl]acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.0098 0.0098
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.0083 0.0083
Trypanosoma brucei calpain-like protein, putative 0.1061 0.2831 0.9424
Trypanosoma brucei calpain-like protein, putative 0.1061 0.2831 0.9424
Trypanosoma cruzi kinesin, putative 0.0742 0.1847 0.1847
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0319 0.0542 0.1804
Schistosoma mansoni calpain-2 (C02 family) 0.0319 0.0542 0.0449
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0319 0.0542 0.0542
Schistosoma mansoni calpain C (C02 family) 0.1061 0.2831 0.276
Entamoeba histolytica calpain large subunit domain III containing protein 0.0742 0.1847 1
Trypanosoma brucei Calpain-like protein 2 0.0319 0.0542 0.1804
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0319 0.0542 0.0542
Toxoplasma gondii cathepsin B 0.1117 0.3004 1
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0319 0.0542 0.0542
Schistosoma mansoni hypothetical protein 0.0319 0.0542 0.0449
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.2947 0.8645 0.8645
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.1973 0.5643 0.56
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.1061 0.2831 0.2831
Trypanosoma brucei Calpain-like protein 1.2 0.0319 0.0542 0.1804
Loa Loa (eye worm) calpain 0.1061 0.2831 0.276
Brugia malayi calpain 5 0.0319 0.0542 0.0449
Schistosoma mansoni hypothetical protein 0.0205 0.0189 0.0092
Trypanosoma brucei hypothetical protein 0.0319 0.0542 0.1804
Brugia malayi calpain D 0.0319 0.0542 0.0449
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0319 0.0542 0.1804
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.1117 0.3004 1
Echinococcus granulosus geminin 0.0205 0.0189 0.0189
Schistosoma mansoni calpain-7 (C02 family) 0.1061 0.2831 0.276
Brugia malayi Protein-tyrosine phosphatase containing protein 0.1973 0.5643 0.56
Giardia lamblia Cathepsin B precursor 0.1117 0.3004 0.5
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0319 0.0542 0.0542
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0319 0.0542 0.1804
Trypanosoma brucei Calpain-like protein 1.1 0.0319 0.0542 0.1804
Echinococcus multilocularis calpain family protein 1, d 0.2071 0.5946 0.5946
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.2947 0.8645 0.8632
Trichomonas vaginalis calpain, putative 0.0319 0.0542 0.1804
Brugia malayi calpain 5 0.0742 0.1847 0.1767
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.1061 0.2831 0.2831
Echinococcus multilocularis calpain 7 (C02 family) 0.1061 0.2831 0.2831
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.1117 0.3004 1
Giardia lamblia Cathepsin B precursor 0.1117 0.3004 0.5
Trypanosoma brucei cysteine peptidase, putative 0.0319 0.0542 0.1804
Loa Loa (eye worm) calpain 5 0.0742 0.1847 0.1767
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1117 0.3004 0.2935
Brugia malayi calpain family protein 1 0.2814 0.8235 0.8217
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0319 0.0542 0.1804
Trypanosoma brucei Calpain-like protein CALP1.3 0.0319 0.0542 0.1804
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.1061 0.2831 0.9298
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.1061 0.2831 0.2831
Entamoeba histolytica protein kinase, putative 0.0742 0.1847 1
Echinococcus multilocularis calpain A 0.2947 0.8645 0.8645
Schistosoma mansoni hypothetical protein 0.0205 0.0189 0.0092
Schistosoma mansoni Mername-AA248 (C02 family) 0.1061 0.2831 0.276
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.1973 0.5643 0.5643
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.1061 0.2831 0.9424
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0319 0.0542 0.0542
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.1061 0.2831 0.2831
Trichomonas vaginalis calpain, putative 0.0319 0.0542 0.1804
Trichomonas vaginalis conserved hypothetical protein 0.0319 0.0542 0.1804
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1117 0.3004 0.3004
Echinococcus multilocularis geminin 0.0205 0.0189 0.0189
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0319 0.0542 0.0542
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0319 0.0542 0.0542
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.2947 0.8645 0.8632
Loa Loa (eye worm) protein-tyrosine phosphatase 0.1973 0.5643 0.56
Trypanosoma brucei calpain-like protein, putative 0.1061 0.2831 0.9424
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0319 0.0542 0.0542
Schistosoma mansoni calpain (C02 family) 0.1061 0.2831 0.276
Loa Loa (eye worm) hypothetical protein 0.2495 0.7251 0.7224
Trypanosoma cruzi calpain cysteine peptidase, putative 0.1061 0.2831 0.2831
Trypanosoma brucei cytoskeleton-associated protein CAP5.5, putative 0.0319 0.0542 0.1804
Trichomonas vaginalis calpain, putative 0.0319 0.0542 0.1804
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0319 0.0542 0.1804
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.2814 0.8235 0.8217
Plasmodium falciparum calpain 0.0319 0.0542 0.5
Trypanosoma brucei cysteine peptidase C (CPC) 0.1117 0.3004 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.1061 0.2831 0.2831
Brugia malayi calpain family protein 1 0.2814 0.8235 0.8217
Echinococcus granulosus calpain 0.1061 0.2831 0.2831
Echinococcus granulosus calpain A 0.2947 0.8645 0.8645
Loa Loa (eye worm) calpain D 0.0319 0.0542 0.0449
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0319 0.0542 0.0542
Trypanosoma brucei calpain, putative 0.0319 0.0542 0.1804
Trypanosoma brucei kinesin, putative 0.0742 0.1847 0.6149
Brugia malayi calpain 7 0.1061 0.2831 0.276
Trypanosoma brucei calpain-like protein, putative 0.1061 0.2831 0.9424
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0319 0.0542 0.0542
Plasmodium vivax calpain, putative 0.1061 0.2831 0.5
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.1061 0.2831 0.2831
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0319 0.0542 0.1804
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0319 0.0542 0.0542
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.1061 0.2831 0.9298
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.1061 0.2831 0.9424
Echinococcus granulosus calpain A 0.1061 0.2831 0.2831
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0319 0.0542 0.0542
Trypanosoma brucei calpain, putative 0.0319 0.0542 0.1804
Entamoeba histolytica calpain family cysteine protease, putative 0.0319 0.0542 0.2934
Schistosoma mansoni calpain-7 (C02 family) 0.1061 0.2831 0.276
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0319 0.0542 0.0542
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.1061 0.2831 0.2831
Loa Loa (eye worm) hypothetical protein 0.0319 0.0542 0.0449
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0319 0.0542 0.0542
Trypanosoma cruzi conserved protein 0.0319 0.0542 0.0542
Trypanosoma brucei glucosamine 6-phosphate n-acetyltransferase 0.032 0.0544 0.1811
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0319 0.0542 0.0542
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.1973 0.5643 0.5643
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0319 0.0542 0.1804
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0319 0.0542 0.1804
Trypanosoma brucei antigen, putative 0.1061 0.2831 0.9424
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.1061 0.2831 0.2831
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0319 0.0542 0.0542
Loa Loa (eye worm) calpain family protein 1 0.2071 0.5946 0.5906
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.2947 0.8645 0.8645
Echinococcus multilocularis hypothetical protein 0.1061 0.2831 0.2831
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.1061 0.2831 0.2831
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0319 0.0542 0.1804
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.1061 0.2831 0.9298
Loa Loa (eye worm) hypothetical protein 0.1752 0.4962 0.4912
Loa Loa (eye worm) hypothetical protein 0.2814 0.8235 0.8217
Echinococcus granulosus calpain 5 0.1061 0.2831 0.2831
Echinococcus multilocularis calpain 0.1061 0.2831 0.2831
Leishmania major kinesin, putative 0.0742 0.1847 0.5301
Trypanosoma cruzi kinesin, putative 0.0742 0.1847 0.1847
Loa Loa (eye worm) calpain family protein 1 0.2814 0.8235 0.8217
Onchocerca volvulus 0.1752 0.4962 0.5
Trichomonas vaginalis hypothetical protein 0.0319 0.0542 0.1804
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0319 0.0542 0.0542
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0319 0.0542 0.1804
Loa Loa (eye worm) hypothetical protein 0.2071 0.5946 0.5906
Echinococcus multilocularis calpain 5 0.1061 0.2831 0.2831
Echinococcus granulosus calpain 7 C02 family 0.1061 0.2831 0.2831
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0319 0.0542 0.0542
Giardia lamblia Cathepsin B precursor 0.1117 0.3004 0.5
Loa Loa (eye worm) cathepsin B 0.1117 0.3004 0.2935

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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