Detailed information for compound 1068434

Basic information

Technical information
  • TDR Targets ID: 1068434
  • Name: N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl] methyl]-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]py rimidine-6-sulfonamide
  • MW: 467.005 | Formula: C20H23ClN4O3S2
  • H donors: 1 H acceptors: 3 LogP: 3.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CN1CCC(CC1)CNS(=O)(=O)c1c(C)nc2n(c1=O)ccs2
  • InChi: 1S/C20H23ClN4O3S2/c1-14-18(19(26)25-10-11-29-20(25)23-14)30(27,28)22-12-15-6-8-24(9-7-15)13-16-2-4-17(21)5-3-16/h2-5,10-11,15,22H,6-9,12-13H2,1H3
  • InChiKey: CQKBWJKYYGRYKR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-7-methyl-5-oxo-thiazolo[3,2-a]pyrimidine-6-sulfonamide
  • N-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]-7-methyl-5-oxo-6-thiazolo[3,2-a]pyrimidinesulfonamide
  • N-[[1-(4-chlorobenzyl)-4-piperidyl]methyl]-5-keto-7-methyl-thiazolo[3,2-a]pyrimidine-6-sulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0122 0.3104 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0344 0.5
Brugia malayi hypothetical protein 0.003 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.003 0.0344 0.0344
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1244 0.1244
Brugia malayi Temporarily assigned gene name protein 44 0.003 0.0319 0.0319
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1094 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1094 0.1094
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0344 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1094 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1244 0.1244
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0122 0.3104 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0122 0.3104 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0122 0.3104 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0122 0.3104 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0668 0.0668
Echinococcus granulosus protein quaking 0.003 0.0319 0.2915
Schistosoma mansoni hypothetical protein 0.003 0.0319 0.2915
Loa Loa (eye worm) hypothetical protein 0.006 0.1244 0.1244
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0122 0.3104 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1094 1
Schistosoma mansoni hypothetical protein 0.0041 0.0668 0.6108
Schistosoma mansoni hypothetical protein 0.003 0.0319 0.2915
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1094 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0344 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1094 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0122 0.3104 1
Brugia malayi hypothetical protein 0.003 0.0344 0.0344
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1094 0.1094
Brugia malayi hypothetical protein 0.002 0.0018 0.0018
Trypanosoma brucei hypothetical protein 0.0122 0.3104 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0122 0.3104 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1244 0.1244
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0122 0.3104 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0668 0.0668
Loa Loa (eye worm) hypothetical protein 0.003 0.0319 0.0319
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0122 0.3104 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1094 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0122 0.3104 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0122 0.3104 1
Echinococcus multilocularis protein quaking 0.003 0.0319 0.2915
Echinococcus granulosus hypothetical protein 0.003 0.0319 0.2915
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1094 1
Trypanosoma brucei calpain, putative 0.0122 0.3104 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0122 0.3104 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0122 0.3104 1
Trypanosoma brucei calpain-like protein, putative 0.0122 0.3104 1
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.0122 0.3104 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0344 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3162 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.