Detailed information for compound 648322

Basic information

Technical information
  • TDR Targets ID: 648322
  • Name: 1-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2- yl]-3-(2-methoxyphenyl)urea
  • MW: 382.479 | Formula: C20H22N4O2S
  • H donors: 2 H acceptors: 3 LogP: 4.57 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)Nc1nnc(s1)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C20H22N4O2S/c1-20(2,3)14-11-9-13(10-12-14)17-23-24-19(27-17)22-18(25)21-15-7-5-6-8-16(15)26-4/h5-12H,1-4H3,(H2,21,22,24,25)
  • InChiKey: YAJVKKWSBGIRHK-UHFFFAOYSA-N  

Network

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Synonyms

  • Oprea1_420224
  • ZINC01168623
  • STOCK3S-12626

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
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.005 0.0358 0.4849
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0127 0.2852 0.4997
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0349 1 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0061 0.0737 0.079
Echinococcus granulosus geminin 0.0184 0.4683 0.8322
Entamoeba histolytica hypothetical protein 0.0058 0.0619 0.0512
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0575 0.1593
Toxoplasma gondii FATC domain-containing protein 0.0058 0.0619 1
Leishmania major phosphatidylinositol kinase related protein, putative 0.0042 0.0115 1
Echinococcus multilocularis serine protein kinase ATM 0.0058 0.0619 0.0941
Loa Loa (eye worm) hypothetical protein 0.0061 0.0737 0.2042
Schistosoma mansoni hypothetical protein 0.0328 0.9324 1
Treponema pallidum fructose-bisphosphate aldolase 0.0349 1 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0042 0.0113 0.0121
Loa Loa (eye worm) hypothetical protein 0.0087 0.1552 0.4301
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0077 0.1222 0.2037
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0349 1 1
Loa Loa (eye worm) MBCTL1 0.0061 0.0737 0.2042
Echinococcus granulosus polycomb protein SCMH1 0.0054 0.0496 0.0719
Echinococcus granulosus SAM and MBT domain containing protein 0.0054 0.0496 0.0719
Brugia malayi PHD-finger family protein 0.0053 0.0467 0.1196
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0058 0.0619 1
Schistosoma mansoni sex comb on midleg homolog 0.0054 0.0496 0.0532
Loa Loa (eye worm) phosphatidylinositol 3 0.0042 0.0113 0.0313
Loa Loa (eye worm) hypothetical protein 0.0091 0.1683 0.4664
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0349 1 1
Schistosoma mansoni hypothetical protein 0.0184 0.4683 0.5023
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0042 0.0113 0.0022
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0349 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0042 0.0113 0.0313
Echinococcus multilocularis polycomb protein SCMH1 0.0054 0.0496 0.0719
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0077 0.1222 0.2037
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0042 0.0113 0.0022
Brugia malayi Bromodomain containing protein 0.0082 0.1385 0.3549
Loa Loa (eye worm) hypothetical protein 0.005 0.0358 0.0993
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0349 1 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0048 0.0304 0.0369
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0061 0.0737 0.1155
Onchocerca volvulus 0.0054 0.0496 0.5
Schistosoma mansoni hypothetical protein 0.0184 0.4683 0.5023
Schistosoma mansoni zinc finger protein 0.0042 0.0101 0.0108
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.017 0.425 0.5
Schistosoma mansoni bromodomain containing protein 0.0135 0.3098 0.3322
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0054 0.0496 0.5
Echinococcus granulosus histone acetyltransferase MYST2 0.0061 0.0737 0.1155
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0042 0.0113 0.0289
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.017 0.425 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0044 0.0173 0.048
Loa Loa (eye worm) hypothetical protein 0.0056 0.0575 0.1593
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0349 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.0619 0.0512
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0058 0.0619 0.0664
Echinococcus multilocularis geminin 0.0184 0.4683 0.8322
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0058 0.0619 0.1586
Schistosoma mansoni hypothetical protein 0.0044 0.0173 0.0186
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.017 0.425 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0349 1 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.3608 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0349 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0127 0.2852 0.4997
Echinococcus granulosus serine protein kinase ATM 0.0058 0.0619 0.0941
Schistosoma mansoni sex comb on midleg homolog 0.0054 0.0496 0.0532
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0575 0.1473
Brugia malayi mbt repeat family protein 0.0054 0.0496 0.1272
Echinococcus multilocularis histone acetyltransferase MYST2 0.0061 0.0737 0.1155
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0061 0.0737 0.1155
Loa Loa (eye worm) hypothetical protein 0.0082 0.1389 0.3851
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0213 0.5608 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0058 0.0619 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0048 0.0304 0.0326
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0048 0.0304 0.0369
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0213 0.5608 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0575 0.1473
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0042 0.0113 0.0022
Loa Loa (eye worm) hypothetical protein 0.0054 0.0496 0.1376
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0054 0.0496 0.0532
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0042 0.0113 0.0289
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0042 0.0113 0.0121
Brugia malayi mbt repeat family protein 0.0054 0.0496 0.1272
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0349 1 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0054 0.0496 0.0719
Giardia lamblia Fructose-bisphosphate aldolase 0.0349 1 1
Brugia malayi Bromodomain containing protein 0.016 0.3901 1
Loa Loa (eye worm) mbt repeat family protein 0.0054 0.0496 0.1376
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0042 0.0115 0.0052
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0061 0.0737 0.1889
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0042 0.0113 0.0022

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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