Detailed information for compound 1389058

Basic information

Technical information
  • TDR Targets ID: 1389058
  • Name: N,N,4-trimethyl-2-[(2-nitrobenzoyl)amino]-1,3 -thiazole-5-carboxamide
  • MW: 334.35 | Formula: C14H14N4O4S
  • H donors: 1 H acceptors: 5 LogP: 2.14 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(=O)c1sc(nc1C)NC(=O)c1ccccc1[N+](=O)[O-])C
  • InChi: 1S/C14H14N4O4S/c1-8-11(13(20)17(2)3)23-14(15-8)16-12(19)9-6-4-5-7-10(9)18(21)22/h4-7H,1-3H3,(H,15,16,19)
  • InChiKey: CCAPEIFTEFWOTO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N,4-trimethyl-2-[(2-nitrobenzoyl)amino]thiazole-5-carboxamide
  • N,N,4-trimethyl-2-[[(2-nitrophenyl)-oxomethyl]amino]-5-thiazolecarboxamide
  • N,N,4-trimethyl-2-[(2-nitrophenyl)carbonylamino]-1,3-thiazole-5-carboxamide
  • ZINC00473374
  • MLS000626917
  • SMR000272050
  • IVK/9176891

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0156 0.1266 0.4011
Trichomonas vaginalis esterase, putative 0.0156 0.1266 0.5
Schistosoma mansoni hypothetical protein 0.0074 0.0411 0.0593
Mycobacterium ulcerans hypothetical protein 0.0156 0.1266 0.5
Onchocerca volvulus 0.0156 0.1266 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.0766 0.2425
Echinococcus multilocularis microtubule associated protein 2 0.0703 0.6929 1
Trichomonas vaginalis D-aminoacylase, putative 0.0156 0.1266 0.5
Loa Loa (eye worm) RNA binding protein 0.0339 0.3158 1
Plasmodium vivax hypothetical protein, conserved 0.0156 0.1266 0.5
Loa Loa (eye worm) beta-lactamase 0.0156 0.1266 0.4011
Echinococcus granulosus tar DNA binding protein 0.0339 0.3158 0.4557
Mycobacterium leprae conserved hypothetical protein 0.0156 0.1266 0.5
Brugia malayi RNA binding protein 0.0339 0.3158 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0156 0.1266 0.1828
Loa Loa (eye worm) hypothetical protein 0.0156 0.1266 0.4011
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0156 0.1266 0.4011
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2605 0.376
Trypanosoma brucei hypothetical protein, conserved 0.0156 0.1266 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0156 0.1266 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0156 0.1266 0.1828
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0156 0.1266 0.4011
Trichomonas vaginalis penicillin-binding protein, putative 0.0156 0.1266 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2605 0.376
Schistosoma mansoni tar DNA-binding protein 0.0339 0.3158 0.4557
Echinococcus multilocularis tar DNA binding protein 0.0339 0.3158 0.4557
Brugia malayi beta-lactamase family protein 0.0156 0.1266 0.4011
Trichomonas vaginalis D-aminoacylase, putative 0.0156 0.1266 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0108 0.0766 0.2425
Mycobacterium ulcerans beta-lactamase 0.0156 0.1266 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0703 0.6929 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0339 0.3158 1
Echinococcus granulosus microtubule associated protein 2 0.0703 0.6929 1
Loa Loa (eye worm) TAR-binding protein 0.0339 0.3158 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0156 0.1266 0.5
Toxoplasma gondii ABC1 family protein 0.0156 0.1266 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0108 0.0766 0.2425
Loa Loa (eye worm) hypothetical protein 0.0156 0.1266 0.4011
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0156 0.1266 0.1828
Brugia malayi RNA recognition motif domain containing protein 0.0339 0.3158 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.1266 0.4011
Brugia malayi beta-lactamase 0.0156 0.1266 0.4011
Trichomonas vaginalis D-aminoacylase, putative 0.0156 0.1266 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.0411 0.1302
Trypanosoma cruzi hypothetical protein, conserved 0.0156 0.1266 0.5
Mycobacterium leprae Probable lipase LipE 0.0156 0.1266 0.5
Schistosoma mansoni tar DNA-binding protein 0.0339 0.3158 0.4557
Schistosoma mansoni survival motor neuron protein 0.0058 0.0249 0.036
Onchocerca volvulus 0.0156 0.1266 1
Schistosoma mansoni tar DNA-binding protein 0.0339 0.3158 0.4557
Leishmania major hypothetical protein, conserved 0.0156 0.1266 0.5
Schistosoma mansoni hypothetical protein 0.0058 0.0249 0.036
Brugia malayi hypothetical protein 0.0286 0.2605 0.825
Brugia malayi beta-lactamase family protein 0.0156 0.1266 0.4011
Mycobacterium ulcerans esterase/lipase LipP 0.0156 0.1266 0.5
Schistosoma mansoni tar DNA-binding protein 0.0339 0.3158 0.4557
Loa Loa (eye worm) hypothetical protein 0.0156 0.1266 0.4011
Trypanosoma cruzi hypothetical protein, conserved 0.0156 0.1266 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0249 0.0789
Echinococcus granulosus beta LACTamase domain containing family member 0.0156 0.1266 0.1828
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0411 0.1302
Onchocerca volvulus 0.0156 0.1266 1
Mycobacterium ulcerans lipase LipD 0.0156 0.1266 0.5
Loa Loa (eye worm) hypothetical protein 0.0156 0.1266 0.4011
Brugia malayi TAR-binding protein 0.0339 0.3158 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.2605 0.825
Brugia malayi Calcitonin receptor-like protein seb-1 0.0108 0.0766 0.2425
Schistosoma mansoni tar DNA-binding protein 0.0339 0.3158 0.4557

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1413 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.3162 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 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) 16.5113 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 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

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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