Detailed information for compound 1233960

Basic information

Technical information
  • TDR Targets ID: 1233960
  • Name: 4-(1,2-benzothiazole-3-carbonyl)-N-(3,4-dimet hylphenyl)piperazine-1-carboxamide
  • MW: 394.49 | Formula: C21H22N4O2S
  • H donors: 1 H acceptors: 3 LogP: 3.5 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)C(=O)c1nsc2c1cccc2)Nc1ccc(c(c1)C)C
  • InChi: 1S/C21H22N4O2S/c1-14-7-8-16(13-15(14)2)22-21(27)25-11-9-24(10-12-25)20(26)19-17-5-3-4-6-18(17)28-23-19/h3-8,13H,9-12H2,1-2H3,(H,22,27)
  • InChiKey: ANIXGIWPSZEZBZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1,2-benzothiazol-3-yl-oxomethyl)-N-(3,4-dimethylphenyl)-1-piperazinecarboxamide
  • 4-(1,2-benzothiazol-3-ylcarbonyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
  • G795-0717
  • NCGC00134385-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein 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) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Trypanosoma cruzi GUP1, putative 0.0043 0.1146 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.0043 0.1146 0.0513
Leishmania major hypothetical protein, conserved 0.0043 0.1146 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.1146 0.5
Brugia malayi intermediate filament protein 0.0033 0.0668 0.2561
Brugia malayi TAR-binding protein 0.0076 0.2607 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0043 0.1146 0.0513
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0043 0.1146 0.0513
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0043 0.1146 0.0513
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2607 0.2607
Loa Loa (eye worm) hypothetical protein 0.0043 0.1146 0.1146
Loa Loa (eye worm) hypothetical protein 0.0201 0.8083 0.8083
Leishmania major glycerol uptake protein, putative 0.0043 0.1146 0.5
Loa Loa (eye worm) MBOAT family protein 0.0043 0.1146 0.1146
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0043 0.1146 0.0513
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0043 0.1146 0.0513
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0043 0.1146 0.0513
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0043 0.1146 0.5
Loa Loa (eye worm) MBOAT family protein 0.0043 0.1146 0.1146
Trichomonas vaginalis porcupine, putative 0.0043 0.1146 0.5
Leishmania major glycerol uptake protein, putative 0.0043 0.1146 0.5
Toxoplasma gondii hypothetical protein 0.0043 0.1146 0.5
Echinococcus multilocularis sterol O acyltransferase 1 0.0244 1 1
Brugia malayi MBOAT family protein 0.0043 0.1146 0.4397
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0043 0.1146 0.0513
Brugia malayi Hhat protein 0.0043 0.1146 0.4397
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.1146 0.5
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0043 0.1146 0.0513
Loa Loa (eye worm) hypothetical protein 0.0043 0.1146 0.1146
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0043 0.1146 0.0513
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0043 0.1146 0.0513
Loa Loa (eye worm) hypothetical protein 0.0032 0.0641 0.0641
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0043 0.1146 0.5
Leishmania major glycerol uptake protein, putative 0.0043 0.1146 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.0043 0.1146 0.0513
Loa Loa (eye worm) hypothetical protein 0.0043 0.1146 0.1146
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0043 0.1146 0.0513
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0043 0.1146 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2607 0.2079
Trypanosoma cruzi glycerol uptake protein, putative 0.0043 0.1146 0.5
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0043 0.1146 0.1146
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0668 0.0668
Loa Loa (eye worm) hhat protein 0.0043 0.1146 0.1146
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0668 0.0668
Leishmania major glycerol uptake protein, putative 0.0043 0.1146 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2607 0.2079
Loa Loa (eye worm) RNA binding protein 0.0076 0.2607 0.2607
Loa Loa (eye worm) hypothetical protein 0.0244 1 1
Brugia malayi MBOAT family protein 0.0043 0.1146 0.4397
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0043 0.1146 0.0513
Brugia malayi MBOAT family protein 0.0043 0.1146 0.4397
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0043 0.1146 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0668 0.0668
Loa Loa (eye worm) hhat protein 0.0043 0.1146 0.1146
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0043 0.1146 0.0513
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2607 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0043 0.1146 0.5
Brugia malayi MBOAT family protein 0.0043 0.1146 0.4397
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.1146 0.5
Trichomonas vaginalis transmembrane protein nessy, putative 0.0043 0.1146 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2607 0.2079
Treponema pallidum alginate O-acetylation protein (algI) 0.0043 0.1146 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0043 0.1146 0.0513
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2607 0.2079
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0668 0.2561
Brugia malayi MBOAT family protein 0.0043 0.1146 0.4397
Brugia malayi diacylglycerol acyltransferase 0.0043 0.1146 0.4397
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0043 0.1146 0.0513
Trypanosoma cruzi glycerol uptake protein, putative 0.0043 0.1146 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.1146 0.0513
Trypanosoma brucei glycerol uptake protein, putative 0.0043 0.1146 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2607 0.2079
Schistosoma mansoni sterol O-acyltransferase 1 0.0244 1 1
Leishmania major glycerol uptake protein, putative 0.0043 0.1146 0.5
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0043 0.1146 0.1146
Trypanosoma brucei glycerol uptake protein, putative 0.0043 0.1146 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.0043 0.1146 0.0513
Echinococcus granulosus tar DNA binding protein 0.0076 0.2607 0.2079
Brugia malayi RNA binding protein 0.0076 0.2607 1
Trypanosoma cruzi GUP1, putative 0.0043 0.1146 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0043 0.1146 0.0513
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0043 0.1146 0.0513
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0043 0.1146 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0043 0.1146 0.5
Onchocerca volvulus 0.0043 0.1146 1
Entamoeba histolytica hypothetical protein, conserved 0.0043 0.1146 0.5
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0043 0.1146 0.0513
Entamoeba histolytica vacuolar protein sorting 26 0.0043 0.1146 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2607 0.2079
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2607 0.2607
Loa Loa (eye worm) MBOAT family protein 0.0043 0.1146 0.1146
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0043 0.1146 0.0513
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0043 0.1146 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.1146 0.5
Schistosoma mansoni zinc finger protein 0.0043 0.1146 0.0513

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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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