Detailed information for compound 1536608

Basic information

Technical information
  • TDR Targets ID: 1536608
  • Name: 4-(1,2-benzothiazole-3-carbonyl)-N-(2-ethylph enyl)piperazine-1-carboxamide
  • MW: 394.49 | Formula: C21H22N4O2S
  • H donors: 1 H acceptors: 3 LogP: 3.57 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1NC(=O)N1CCN(CC1)C(=O)c1nsc2c1cccc2
  • InChi: 1S/C21H22N4O2S/c1-2-15-7-3-5-9-17(15)22-21(27)25-13-11-24(12-14-25)20(26)19-16-8-4-6-10-18(16)28-23-19/h3-10H,2,11-14H2,1H3,(H,22,27)
  • InChiKey: DTYXAPDFIJLOJY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1,2-benzothiazol-3-yl-oxomethyl)-N-(2-ethylphenyl)-1-piperazinecarboxamide
  • 4-(1,2-benzothiazol-3-ylcarbonyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
  • G795-0743
  • NCGC00134411-01

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
Plasmodium vivax hypothetical protein, conserved 0.003 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0713 0.0899
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.7936 0.5984
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0269 0.7936 1
Loa Loa (eye worm) TAR-binding protein 0.0128 0.3254 0.4101
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0713 0.2192
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0162 0.4368 0.5
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0162 0.4368 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 1 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3254 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.5176 0.0615
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0396 0.1215
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 1 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0269 0.7936 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0713 0.0899
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0713 0.2192
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0713 0.2192
Giardia lamblia Fructose-bisphosphate aldolase 0.0331 1 1
Brugia malayi MH2 domain containing protein 0.0117 0.2891 0.3643
Onchocerca volvulus Glucosylceramidase homolog 0.0176 0.486 1
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.7936 0.5984
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.7936 0.5984
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0713 0.2192
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0212 0.0653
Echinococcus multilocularis tar DNA binding protein 0.0128 0.3254 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0331 1 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 1 1
Plasmodium falciparum phd finger protein, putative 0.003 0 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.7936 0.5984
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3254 1
Brugia malayi jmjC domain containing protein 0.0099 0.2298 0.2895
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.3254 0.4101
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.7936 0.5984
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0162 0.4368 0.5
Loa Loa (eye worm) RNA binding protein 0.0128 0.3254 0.4101
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0212 0.0653
Brugia malayi jmjC domain containing protein 0.0037 0.0212 0.0268
Loa Loa (eye worm) hypothetical protein 0.0052 0.0721 0.0909
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.1075 0.1355
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3254 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3254 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0713 0.2192
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0212 0.0653
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0212 0.0268
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.2298 0.7061
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.3254 0.4101
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.2298 0.7061
Brugia malayi TAR-binding protein 0.0128 0.3254 0.4101
Schistosoma mansoni jumonji domain containing protein 0.0079 0.1618 0.4972
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0331 1 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0713 0.2192
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.2891 0.3643
Echinococcus granulosus tar DNA binding protein 0.0128 0.3254 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 1 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3254 1
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0396 0.1215
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0713 0.2192
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.7936 0.5984
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.2891 0.3643
Brugia malayi RNA binding protein 0.0128 0.3254 0.4101
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.5176 0.0615
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0212 0.0653

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 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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