Detailed information for compound 1418671

Basic information

Technical information
  • TDR Targets ID: 1418671
  • Name: [1-[2-[(4-methylphenyl)amino]1,3-thiazole-4-c arbonyl]piperidin-4-yl]-(4-methylpiperazin-1- yl)methanone
  • MW: 427.563 | Formula: C22H29N5O2S
  • H donors: 1 H acceptors: 3 LogP: 2.75 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1csc(n1)Nc1ccc(cc1)C
  • InChi: 1S/C22H29N5O2S/c1-16-3-5-18(6-4-16)23-22-24-19(15-30-22)21(29)26-9-7-17(8-10-26)20(28)27-13-11-25(2)12-14-27/h3-6,15,17H,7-14H2,1-2H3,(H,23,24)
  • InChiKey: BRIZFWLVGJSKAH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [1-[2-[(4-methylphenyl)amino]thiazole-4-carbonyl]-4-piperidyl]-(4-methylpiperazin-1-yl)methanone
  • [1-[[2-[(4-methylphenyl)amino]-4-thiazolyl]-oxomethyl]-4-piperidinyl]-(4-methyl-1-piperazinyl)methanone
  • [1-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
  • MLS000027180
  • BAS 11101867
  • [4-(4-Methyl-piperazine-1-carbonyl)-piperidin-1-yl]-(2-p-tolylamino-thiazol-4-yl)-methanone
  • SMR000015373
  • STK112593

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
Loa Loa (eye worm) hypothetical protein 0.0076 0.059 0.059
Brugia malayi MH2 domain containing protein 0.0381 0.6595 0.6595
Schistosoma mansoni tar DNA-binding protein 0.0191 0.2852 0.2852
Brugia malayi RNA recognition motif domain containing protein 0.0191 0.2852 0.2852
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.059 0.059
Schistosoma mansoni hypothetical protein 0.0164 0.2323 0.2323
Schistosoma mansoni hypothetical protein 0.0164 0.2323 0.2323
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0111 0.128 0.128
Loa Loa (eye worm) TAR-binding protein 0.0191 0.2852 0.2852
Brugia malayi Calcitonin receptor-like protein seb-1 0.0111 0.128 0.128
Loa Loa (eye worm) transcription factor SMAD2 0.0381 0.6595 0.6595
Schistosoma mansoni tar DNA-binding protein 0.0191 0.2852 0.2852
Mycobacterium ulcerans glutaminase 0.0554 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0191 0.2852 0.2852
Loa Loa (eye worm) glutaminase 0.0554 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0381 0.6595 0.6595
Echinococcus multilocularis tar DNA binding protein 0.0191 0.2852 1
Echinococcus multilocularis geminin 0.0164 0.2323 0.8148
Brugia malayi RNA binding protein 0.0191 0.2852 0.2852
Loa Loa (eye worm) RNA binding protein 0.0191 0.2852 0.2852
Loa Loa (eye worm) glutaminase 2 0.0554 1 1
Echinococcus granulosus tar DNA binding protein 0.0191 0.2852 1
Schistosoma mansoni glutaminase 0.0554 1 1
Brugia malayi TAR-binding protein 0.0191 0.2852 0.2852
Schistosoma mansoni hypothetical protein 0.0076 0.059 0.059
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0191 0.2852 0.2852
Schistosoma mansoni tar DNA-binding protein 0.0191 0.2852 0.2852
Trichomonas vaginalis glutaminase, putative 0.0554 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0191 0.2852 0.2852
Echinococcus granulosus geminin 0.0164 0.2323 0.8148
Loa Loa (eye worm) hypothetical protein 0.0111 0.128 0.128
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0111 0.128 0.128

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 25.9185 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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