Detailed information for compound 1875429

Basic information

Technical information
  • TDR Targets ID: 1875429
  • Name: 3-[(4-butoxyphenyl)methylideneamino]-1-(2,5-d imethylphenyl)thiourea
  • MW: 355.497 | Formula: C20H25N3OS
  • H donors: 2 H acceptors: 0 LogP: 5.11 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1)/C=N/NC(=S)Nc1cc(C)ccc1C
  • InChi: 1S/C20H25N3OS/c1-4-5-12-24-18-10-8-17(9-11-18)14-21-23-20(25)22-19-13-15(2)6-7-16(19)3/h6-11,13-14H,4-5,12H2,1-3H3,(H2,22,23,25)/b21-14+
  • InChiKey: OSLLBUDVJVTNNB-KGENOOAVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(4-butoxyphenyl)methyleneamino]-1-(2,5-dimethylphenyl)thiourea
  • 3-[(4-butoxybenzylidene)amino]-1-(2,5-dimethylphenyl)thiourea
  • T0510-5879
  • MLS000536520
  • SMR000151416

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No 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 multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0226 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0189 0.0189
Brugia malayi Pre-SET motif family protein 0.003 0.0226 0.0233
Echinococcus multilocularis metastasis associated protein MTA1 0.0023 0.0133 0.5865
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0212 0.9379
Schistosoma mansoni rest corepressor (corest) protein 0.0023 0.0133 0.5865
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0189 0.0195
Echinococcus granulosus SANT DNA binding 0.0023 0.0133 0.5865
Brugia malayi Myb-like DNA-binding domain containing protein 0.0023 0.0133 0.0137
Brugia malayi Pre-SET motif family protein 0.0209 0.2506 0.2581
Schistosoma mansoni lamin 0.0027 0.0189 0.8369
Plasmodium vivax SET domain protein, putative 0.003 0.0226 1
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0023 0.0133 0.5865
Schistosoma mansoni rest corepressor (corest) protein 0.0023 0.0133 0.5865
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0226 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0226 1
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0023 0.0133 0.5865
Brugia malayi intermediate filament protein 0.0027 0.0189 0.0195
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0226 0.5
Echinococcus granulosus metastasis associated protein MTA1 0.0023 0.0133 0.5865
Trichomonas vaginalis set domain proteins, putative 0.0238 0.2874 0.5
Brugia malayi Myb-like DNA-binding domain containing protein 0.0774 0.9712 1
Brugia malayi ELM2 domain containing protein 0.0023 0.0133 0.0137
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0226 1
Echinococcus multilocularis lamin dm0 0.0027 0.0189 0.8369
Brugia malayi ELM2 domain containing protein 0.0023 0.0133 0.0137
Loa Loa (eye worm) GATA zinc finger family protein 0.0023 0.0133 0.0133
Echinococcus multilocularis musashi 0.0027 0.0189 0.8369
Loa Loa (eye worm) hypothetical protein 0.0027 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0774 0.9712 0.9712
Onchocerca volvulus Mesoderm induction early response 1 related homolog 0.0023 0.0133 0.0133
Onchocerca volvulus 0.0238 0.2874 0.2874
Onchocerca volvulus 0.0027 0.0189 0.0189
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0029 0.0029
Echinococcus multilocularis lamin 0.0027 0.0189 0.8369
Echinococcus multilocularis rest corepressor (corest) protein 0.0023 0.0133 0.5872
Echinococcus granulosus metastasis associated protein 1 mta1 0.0023 0.0133 0.5865
Echinococcus granulosus lamin dm0 0.0027 0.0189 0.8369
Loa Loa (eye worm) hypothetical protein 0.003 0.0226 0.0226
Schistosoma mansoni intermediate filament proteins 0.0027 0.0189 0.8369
Loa Loa (eye worm) hypothetical protein 0.0023 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0013 0.0011 0.0011
Echinococcus granulosus lamin 0.0027 0.0189 0.8369
Schistosoma mansoni lamin 0.0027 0.0189 0.8369
Onchocerca volvulus 0.003 0.0226 0.0226
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0011 0.0476
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0226 1
Echinococcus multilocularis metastasis associated protein 1 (mta1) 0.0023 0.0133 0.5865
Echinococcus granulosus zinc finger protein 541 0.0023 0.0133 0.5865
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0029 0.003
Echinococcus granulosus REST corepressor 3 0.0023 0.0133 0.5872
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.2506 0.2506
Onchocerca volvulus CoRest homolog 0.0796 1 1
Echinococcus multilocularis mesoderm induction early response protein 1 0.0023 0.0133 0.5865
Loa Loa (eye worm) hypothetical protein 0.0023 0.0133 0.0133
Echinococcus multilocularis SANT, DNA binding 0.0023 0.0133 0.5865
Echinococcus granulosus intermediate filament protein 0.0027 0.0189 0.8369
Onchocerca volvulus 0.0027 0.0189 0.0189
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0013 0.0004 0.0004
Schistosoma mansoni zinc finger protein 0.0023 0.0133 0.5872
Echinococcus multilocularis zinc finger protein 541 0.0023 0.0133 0.5865
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0011 0.0476
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0226 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0133 0.0133
Echinococcus granulosus mesoderm induction early response protein 1 0.0023 0.0133 0.5865
Loa Loa (eye worm) hypothetical protein 0.0027 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0013 0.0004 0.0004
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0226 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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