Detailed information for compound 924633

Basic information

Technical information
  • TDR Targets ID: 924633
  • Name: 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]mo rpholine
  • MW: 274.381 | Formula: C15H18N2OS
  • H donors: 0 H acceptors: 1 LogP: 3.43 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)c1csc(n1)N1CCOCC1)C
  • InChi: 1S/C15H18N2OS/c1-11-3-4-12(2)13(9-11)14-10-19-15(16-14)17-5-7-18-8-6-17/h3-4,9-10H,5-8H2,1-2H3
  • InChiKey: CYURSTNYTDPCSR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[4-(2,5-dimethylphenyl)thiazol-2-yl]morpholine
  • 4-[4-(2,5-dimethylphenyl)-2-thiazolyl]morpholine
  • Oprea1_459769

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens androgen receptor Starlite/ChEMBL References

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
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0079 0.3287 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0037 0.0368 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0037 0.0368 0.5
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0042 0.07 0.124
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0037 0.0368 0.5
Echinococcus multilocularis nuclear receptor nhr 48 0.0037 0.039 0.0189
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0037 0.039 0.0189
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0079 0.3287 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.039 0.039
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0037 0.039 0.0189
Loa Loa (eye worm) hypothetical protein 0.0037 0.039 0.039
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0037 0.0368 0.5
Brugia malayi nuclear hormone receptor 0.0079 0.3287 0.3054
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0037 0.0368 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0079 0.3287 1
Schistosoma mansoni nuclear hormone receptor 0.0037 0.039 0.0075
Loa Loa (eye worm) hypothetical protein 0.0037 0.039 0.039
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0079 0.3287 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.039 0.039
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0042 0.07 0.1138
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0037 0.0368 0.5
Leishmania major cytochrome p450-like protein 0.0037 0.0368 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.039 0.0189
Onchocerca volvulus 0.0079 0.3287 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.07 0.07
Loa Loa (eye worm) hypothetical protein 0.0037 0.039 0.039
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0079 0.3287 0.3287
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0037 0.0368 0.5
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0037 0.0368 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0079 0.3287 0.3054
Brugia malayi Nuclear hormone receptor E75 0.0037 0.039 0.0058
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0079 0.3287 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0037 0.0368 0.5
Loa Loa (eye worm) DR-78 0.0037 0.039 0.039
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0079 0.3287 1
Schistosoma mansoni thyroid hormone receptor 0.0079 0.3287 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0079 0.3287 0.3287
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0037 0.0368 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0079 0.3287 0.3054
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0079 0.3287 1
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0567 0.068
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0079 0.3287 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0079 0.3287 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0037 0.0368 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0079 0.3287 0.3054
Loa Loa (eye worm) hypothetical protein 0.0042 0.07 0.07
Loa Loa (eye worm) hypothetical protein 0.0042 0.07 0.07
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0037 0.0368 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0037 0.0368 0.0368
Loa Loa (eye worm) hypothetical protein 0.0037 0.039 0.039
Brugia malayi Steroid receptor seven-up type 2 0.0079 0.3287 0.3054
Brugia malayi nuclear receptor RXR 0.0037 0.039 0.0058
Leishmania major cytochrome p450-like protein 0.0037 0.0368 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.0037 0.039 0.0189
Brugia malayi Nuclear hormone receptor-like 1 0.0079 0.3287 0.3054
Loa Loa (eye worm) hypothetical protein 0.0079 0.3287 0.3287
Loa Loa (eye worm) hypothetical protein 0.0037 0.039 0.039
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0042 0.07 0.1138
Leishmania major cytochrome p450-like protein 0.0037 0.0368 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0079 0.3287 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0079 0.3287 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0037 0.0368 0.5
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0037 0.0368 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.039 0.039
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0037 0.0368 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0079 0.3287 0.3054
Brugia malayi nuclear receptor NHR-67 0.0037 0.039 0.0058
Brugia malayi orphan nuclear receptor NR2E1 0.0037 0.039 0.0058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0079 0.3287 0.3287
Brugia malayi cytochrome P450 0.0037 0.0368 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0079 0.3287 0.3054
Loa Loa (eye worm) hypothetical protein 0.0079 0.3287 0.3287
Loa Loa (eye worm) steroid hormone receptor 0.0079 0.3287 0.3287
Mycobacterium leprae putative cytochrome p450 0.0037 0.0368 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0037 0.0368 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0079 0.3287 0.3287
Loa Loa (eye worm) hypothetical protein 0.0079 0.3287 0.3287
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0079 0.3287 1
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0037 0.0368 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0079 0.3287 1
Brugia malayi Nuclear hormone receptor-like 1 0.0042 0.07 0.0379
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0037 0.0368 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0037 0.0368 0.0368
Loa Loa (eye worm) hypothetical protein 0.0079 0.3287 0.3287
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0037 0.0368 0.5
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0037 0.0368 0.5
Brugia malayi hypothetical protein 0.0042 0.07 0.0379
Loa Loa (eye worm) hypothetical protein 0.0079 0.3287 0.3287
Brugia malayi nuclear hormone receptor family member nhr-6 0.0037 0.039 0.0058
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0037 0.0368 0.5
Schistosoma mansoni nuclear hormone receptor 0.0079 0.3287 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0037 0.039 0.039
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0037 0.039 0.0189
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0079 0.3287 0.3287
Echinococcus multilocularis 0.0037 0.0368 0.0115
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0079 0.3287 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0037 0.0368 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0079 0.3287 0.3287
Brugia malayi nuclear hormone receptor family member odr-7 0.0037 0.039 0.0058
Brugia malayi hypothetical protein 0.0037 0.039 0.0058
Trypanosoma cruzi cytochrome P450, putative 0.0037 0.0368 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0079 0.3287 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.039 0.039
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0037 0.0368 0.5
Brugia malayi Nuclear hormone receptor E75 0.0037 0.039 0.0058
Loa Loa (eye worm) cytochrome P450 family protein 0.0177 1 1
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0037 0.0368 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.039 0.039
Mycobacterium leprae Conserved hypothetical protein 0.0037 0.0368 0.5
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0037 0.039 0.0189
Schistosoma mansoni coup transcription factor 0.0079 0.3287 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0037 0.0368 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0079 0.3287 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0079 0.3287 0.3054
Echinococcus granulosus FTZ F1 alpha 0.0079 0.3287 1
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0567 0.068
Brugia malayi nuclear receptor NHR-88 0.0079 0.3287 0.3054
Loa Loa (eye worm) hypothetical protein 0.0079 0.3287 0.3287
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0037 0.0368 0.5
Brugia malayi nuclear receptor RXR 0.0042 0.07 0.0379
Brugia malayi Cytochrome P450 family protein 0.0037 0.0368 0.0035
Loa Loa (eye worm) hypothetical protein 0.0037 0.039 0.039
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0079 0.3287 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0037 0.0368 0.5
Brugia malayi Cytochrome P450 family protein 0.0037 0.0368 0.0035
Loa Loa (eye worm) CYP4Cod1 0.0037 0.0368 0.0368
Schistosoma mansoni nuclear receptor 0.0037 0.039 0.0075
Schistosoma mansoni thyroid hormone receptor 0.0079 0.3287 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0037 0.0368 0.5
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0037 0.0368 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0079 0.3287 1
Brugia malayi nuclear receptor NHR-88 0.0037 0.039 0.0058
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0037 0.039 0.0075
Schistosoma mansoni nuclear receptor 0.0037 0.039 0.0075
Schistosoma mansoni nuclear receptor nhr-48 0.0037 0.039 0.0075
Schistosoma mansoni nuclear hormone receptor 0.0037 0.039 0.0075
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0037 0.0368 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0079 0.3287 0.3054
Brugia malayi ecdysteroid receptor 0.0079 0.3287 0.3054
Brugia malayi ecdysone receptor 0.0037 0.039 0.0058
Loa Loa (eye worm) hypothetical protein 0.0037 0.039 0.039
Schistosoma mansoni RAR-like nuclear receptor 0.0079 0.3287 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.3287 0.3287
Brugia malayi steroid hormone receptor 0.0079 0.3287 0.3054
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0079 0.3287 0.3054
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0037 0.0368 0.5
Brugia malayi hypothetical protein 0.0037 0.039 0.0058
Loa Loa (eye worm) nuclear hormone receptor 0.0037 0.039 0.039
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0079 0.3287 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0037 0.039 0.0058
Brugia malayi Cytochrome P450 family protein 0.0037 0.0368 0.0035
Brugia malayi Nuclear hormone receptor-like 1 0.0042 0.07 0.0379
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0037 0.0368 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0037 0.0368 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0079 0.3287 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0037 0.0368 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0168 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0037 0.0368 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.039 0.0189
Echinococcus granulosus cytochrome P450 2K1 0.0037 0.0368 0.0115
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0079 0.3287 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.07 0.07
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0079 0.3287 0.3054
Echinococcus granulosus Nuclear hormone receptor HR96 0.0037 0.039 0.0189
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0037 0.0368 0.5
Brugia malayi conserved hypotetical protein 0.0037 0.039 0.0058
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0037 0.0368 0.5
Brugia malayi tailless protein 0.0037 0.039 0.0058
Loa Loa (eye worm) hypothetical protein 0.0042 0.07 0.07
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0037 0.039 0.0189
Brugia malayi hypothetical protein 0.0042 0.07 0.0379
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0037 0.0368 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0079 0.3287 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0037 0.0368 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0079 0.3287 0.3054
Loa Loa (eye worm) hypothetical protein 0.0037 0.039 0.039
Loa Loa (eye worm) hypothetical protein 0.0079 0.3287 0.3287
Echinococcus multilocularis FTZ F1 alpha 0.0079 0.3287 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0334 0.0334
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0037 0.0368 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0037 0.0368 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0079 0.3287 0.3054
Echinococcus multilocularis ecdysone induced protein 78C 0.0079 0.3287 1
Loa Loa (eye worm) cytochrome P450 0.0037 0.0368 0.0368
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0168 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0079 0.3287 0.3054
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0079 0.3287 1
Echinococcus granulosus nuclear receptor nhr 48 0.0037 0.039 0.0189
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0037 0.039 0.039
Trypanosoma brucei cytochrome P450, putative 0.0037 0.0368 0.5
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0037 0.039 0.0075
Echinococcus granulosus ecdysone induced protein 78C 0.0079 0.3287 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0079 0.3287 0.3287
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0042 0.07 0.124
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0037 0.0368 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0079 0.3287 1
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0037 0.0368 0.5
Brugia malayi nuclear hormone receptor 0.0037 0.039 0.0058
Schistosoma mansoni zinc finger protein 0.0037 0.039 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0079 0.3287 0.3054
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0079 0.3287 0.3054
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0037 0.0368 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0042 0.07 0.07
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0037 0.0368 0.5
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0037 0.0368 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0079 0.3287 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0037 0.0368 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.0037 0.039 0.0189
Toxoplasma gondii cytochrome p450 superfamily protein 0.0037 0.0368 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.52 uM Inhibition of androgen receptor in human LNCaP cells assessed as inhibition of prostate-specific antigen secretion into media after 3 days ChEMBL. 25062331
IC50 (binding) = 0.62 uM Inhibition of androgen receptor transcriptional activity in human LNCaP cells after 3 days by eGFP assay ChEMBL. 25062331

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.
 
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

1 literature reference was collected for this gene.

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