Detailed information for compound 1232955

Basic information

Technical information
  • TDR Targets ID: 1232955
  • Name: (5E)-5-(thiophen-3-ylmethylidene)imidazolidin e-2,4-dione
  • MW: 194.21 | Formula: C8H6N2O2S
  • H donors: 2 H acceptors: 2 LogP: 0.76 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)/C(=C\c2cscc2)/N1
  • InChi: 1S/C8H6N2O2S/c11-7-6(9-8(12)10-7)3-5-1-2-13-4-5/h1-4H,(H2,9,10,11,12)/b6-3+
  • InChiKey: RATVJWNKXTYIHS-ZZXKWVIFSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5E)-5-(3-thienylmethylene)imidazolidine-2,4-dione
  • (5E)-5-(3-thienylmethylene)hydantoin
  • (5E)-5-(thien-3-ylmethylene)imidazolidine-2,4-dione
  • MLS000724149
  • SMR000305743
  • ZINC00073054
  • STK177676

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
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis 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
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing 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
Schistosoma mansoni bromodomain containing 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Onchocerca volvulus 0.0504 1 1
Mycobacterium ulcerans electron transfer protein FdxB 0.0059 0.0707 0.5
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0059 0.0707 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0447 0.0509
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0059 0.0707 0.5
Loa Loa (eye worm) FAT-3 protein 0.0059 0.0707 0.0806
Loa Loa (eye worm) hypothetical protein 0.0052 0.0554 0.0632
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0059 0.0707 0.5
Trypanosoma brucei fatty acid desaturase, putative 0.0504 1 1
Brugia malayi Muscleblind-like protein 0.018 0.3242 0.3618
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0059 0.0707 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0047 0.0466 0.0531
Leishmania major fatty-acid desaturase, putative 0.0504 1 1
Loa Loa (eye worm) acyl-CoA desaturase 0.0446 0.8773 1
Schistosoma mansoni fatty acid desaturase 0.0059 0.0707 0.6585
Onchocerca volvulus 0.0504 1 1
Loa Loa (eye worm) fatty acid desaturase 0.0059 0.0707 0.0806
Trypanosoma cruzi fatty acid desaturase, putative 0.0446 0.8773 0.868
Loa Loa (eye worm) hypothetical protein 0.0432 0.8499 0.9688
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0984 0.1737
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5436 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.3242 0.5929
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.0446 0.8773 0.5
Loa Loa (eye worm) hypothetical protein 0.0286 0.5436 0.6196
Loa Loa (eye worm) hypothetical protein 0.0059 0.0707 0.0806
Brugia malayi Fatty acid desaturase family protein 0.0059 0.0707 0.0692
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0059 0.0707 0.5
Brugia malayi Delta5 fatty acid desaturase 0.0059 0.0707 0.0692
Brugia malayi Fatty acid desaturase family protein 0.0059 0.0707 0.0692
Mycobacterium ulcerans hypothetical protein 0.0059 0.0707 0.5
Echinococcus granulosus muscleblind protein 0.018 0.3242 0.5929
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0059 0.0707 0.1223
Schistosoma mansoni bromodomain containing protein 0.0076 0.1074 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0446 0.8773 0.868
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5436 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0385 0.0626
Echinococcus granulosus Fatty acid desaturase type 1 0.0059 0.0707 0.1223
Brugia malayi hypothetical protein 0.0286 0.5436 0.6149
Echinococcus multilocularis muscleblind protein 0.018 0.3242 0.5929
Plasmodium falciparum stearoyl-CoA desaturase 0.0446 0.8773 0.5
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0059 0.0707 0.1223
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0059 0.0707 0.1223
Trypanosoma cruzi fatty acid desaturase, putative 0.0504 1 1
Schistosoma mansoni hypothetical protein 0.0058 0.0695 0.6471
Loa Loa (eye worm) hypothetical protein 0.0085 0.1261 0.1438
Loa Loa (eye worm) hypothetical protein 0.018 0.3242 0.3696
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0059 0.0707 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.3242 0.3696
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0059 0.0707 0.1223
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0048 0.0448
Loa Loa (eye worm) fatty acid desaturase 0.0059 0.0707 0.0806
Brugia malayi acyl-CoA desaturase 0.0446 0.8773 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0385 0.0626
Loa Loa (eye worm) hypothetical protein 0.0432 0.8499 0.9688
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0695 0.0678
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0059 0.0707 0.5
Brugia malayi Cytochrome P450 family protein 0.0047 0.0466 0.0413
Brugia malayi Bromodomain containing protein 0.0046 0.0445 0.0389
Onchocerca volvulus 0.0059 0.0707 0.0013
Brugia malayi hypothetical protein 0.0432 0.8499 0.9684
Brugia malayi Bromodomain containing protein 0.0091 0.1369 0.1456
Onchocerca volvulus 0.0432 0.8499 0.8387
Loa Loa (eye worm) hypothetical protein 0.0049 0.0506 0.0577
Mycobacterium tuberculosis Probable conserved membrane protein 0.0059 0.0707 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0984 0.1737
Mycobacterium ulcerans hypothetical protein 0.0059 0.0707 0.5
Schistosoma mansoni survival motor neuron protein 0.0058 0.0695 0.6471

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 17.7828 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 31.6228 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 37.6858 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) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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