Detailed information for compound 1337141

Basic information

Technical information
  • TDR Targets ID: 1337141
  • Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxo isoindol-2-yl)-4-methylsulfanylbutanamide
  • MW: 363.454 | Formula: C16H17N3O3S2
  • H donors: 1 H acceptors: 3 LogP: 1.69 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSCCC(N1C(=O)c2c(C1=O)cccc2)C(=O)NC1=NCCS1
  • InChi: 1S/C16H17N3O3S2/c1-23-8-6-12(13(20)18-16-17-7-9-24-16)19-14(21)10-4-2-3-5-11(10)15(19)22/h2-5,12H,6-9H2,1H3,(H,17,18,20)
  • InChiKey: CSWJWAUMOHBVKM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4,5-dihydrothiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanamide
  • N-(4,5-dihydrothiazol-2-yl)-2-(1,3-dioxo-2-isoindolinyl)-4-(methylthio)butanamide
  • N-(4,5-dihydrothiazol-2-yl)-2-(1,3-diketoisoindolin-2-yl)-4-(methylthio)butyramide
  • N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-butanamide
  • MLS000570334
  • SMR000150362
  • T5227618

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Plasmodium falciparum 3D7 M1-family aminopeptidase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii m1-family aminopeptidase Get druggable targets OG5_130542 All targets in OG5_130542
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium berghei M1-family alanyl aminopeptidase, putative Get druggable targets OG5_130542 All targets in OG5_130542
Toxoplasma gondii aminopeptidase n, putative Get druggable targets OG5_130542 All targets in OG5_130542
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium vivax M1-family alanyl aminopeptidase, putative Get druggable targets OG5_130542 All targets in OG5_130542
Neospora caninum hypothetical protein Get druggable targets OG5_130542 All targets in OG5_130542
Cryptosporidium hominis aminopeptidase N Get druggable targets OG5_130542 All targets in OG5_130542
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium parvum zincin/aminopeptidase N like metalloprotease Get druggable targets OG5_130542 All targets in OG5_130542
Toxoplasma gondii aminopeptidase N protein Get druggable targets OG5_130542 All targets in OG5_130542
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Babesia bovis aminopeptidase, putative Get druggable targets OG5_130542 All targets in OG5_130542
Theileria parva alpha-aminoacylpeptide hydrolase, putative Get druggable targets OG5_130542 All targets in OG5_130542
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium knowlesi M1-family alanyl aminopeptidase, putative Get druggable targets OG5_130542 All targets in OG5_130542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii aminopeptidase N, putative Get druggable targets OG5_130542 All targets in OG5_130542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Neospora caninum Aminopeptidase N (EC 3.4.11.2), related Get druggable targets OG5_130542 All targets in OG5_130542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium falciparum M1-family alanyl aminopeptidase Get druggable targets OG5_130542 All targets in OG5_130542
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
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 0.0085 0.1809 0.2425
Brugia malayi Bromodomain containing protein 0.0046 0.0704 0.0633
Echinococcus multilocularis p2X purinoceptor 4 0.0067 0.13 0.167
Echinococcus granulosus p2X purinoceptor 4 0.0067 0.13 0.167
Schistosoma mansoni P2X receptor subunit 0.0067 0.13 0.8286
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0101 0.0136
Loa Loa (eye worm) hypothetical protein 0.0046 0.0706 0.0946
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.7462 1
Toxoplasma gondii aminopeptidase N, putative 0.0375 1 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0166 0.0137
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0166 0.0137
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1042 0.1102
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.7462 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1433 0.185
Loa Loa (eye worm) hypothetical protein 0.0049 0.0787 0.1054
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0166 0.0679
Brugia malayi Bromodomain containing protein 0.0091 0.1955 0.2368
Echinococcus granulosus p2X purinoceptor 4 0.0067 0.13 0.167
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0623 0.0754
Brugia malayi hypothetical protein 0.0286 0.7462 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1433 0.185
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0375 1 0.5
Schistosoma mansoni bromodomain containing protein 0.0076 0.1556 1
Echinococcus granulosus p2X purinoceptor 4 0.0067 0.13 0.167
Loa Loa (eye worm) hypothetical protein 0.0052 0.0852 0.1142
Onchocerca volvulus 0.0058 0.1042 0.5
Schistosoma mansoni P2X receptor subunit 0.0067 0.13 0.8286
Toxoplasma gondii aminopeptidase n, putative 0.0375 1 0.5
Schistosoma mansoni hypothetical protein 0.0025 0.0101 0.0242
Toxoplasma gondii aminopeptidase N protein 0.0375 1 0.5
Echinococcus multilocularis p2X purinoceptor 4 0.0067 0.13 0.167
Schistosoma mansoni survival motor neuron protein 0.0058 0.1042 0.6557
Loa Loa (eye worm) hypothetical protein 0.0286 0.7462 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0623 0.0754
Schistosoma mansoni P2X receptor subunit 0.0067 0.13 0.8286
Schistosoma mansoni P2X receptor subunit 0.0067 0.13 0.8286
Schistosoma mansoni hypothetical protein 0.0058 0.1042 0.6557
Echinococcus multilocularis p2X purinoceptor 4 0.0067 0.13 0.167

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 17.78 um PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopeptidase (M1AAP). Inhibition of the rate of hydrolysis of fluorogenic peptide substrate (H-Leu-NHMec). Secondary screen (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 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) 5.6234 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.1923 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) 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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