Detailed information for compound 1448315

Basic information

Technical information
  • TDR Targets ID: 1448315
  • Name: 2-chloro-N-(2,4-dimethylphenyl)-N-(4-methyl-4 ,5-dihydro-1,3-thiazol-2-yl)benzamide
  • MW: 358.885 | Formula: C19H19ClN2OS
  • H donors: 0 H acceptors: 1 LogP: 5.11 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)C)N(C(=O)c1ccccc1Cl)C1=NC(CS1)C
  • InChi: 1S/C19H19ClN2OS/c1-12-8-9-17(13(2)10-12)22(19-21-14(3)11-24-19)18(23)15-6-4-5-7-16(15)20/h4-10,14H,11H2,1-3H3
  • InChiKey: NYNBLRRTNDWGBS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-chloro-N-(2,4-dimethylphenyl)-N-(4-methyl-4,5-dihydrothiazol-2-yl)benzamide
  • MLS000391628
  • SMR000260663
  • T0509-1632

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 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 expressed 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
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
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
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 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 Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Echinococcus granulosus lamin 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
Loa Loa (eye worm) hypothetical 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
Schistosoma mansoni intermediate filament proteins 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 multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative 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) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein 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 lamin Get druggable targets OG5_128723 All targets in OG5_128723
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 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0205 0.1961 0.5459
Schistosoma mansoni lamin 0.0033 0.0175 0.0398
Loa Loa (eye worm) hypothetical protein 0.0033 0.0175 0.0491
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0125 0.1139 0.3113
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0153 0.4453
Brugia malayi heat shock protein 90 0.002 0.0044 0.0074
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0153 0.0309
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.002 0.0044 0.0044
Brugia malayi N-terminal motif family protein 0.0218 0.2099 0.5872
Loa Loa (eye worm) hypothetical protein 0.0043 0.0288 0.0809
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0153 0.0834
Mycobacterium leprae Probable lipase LipE 0.0043 0.0288 1
Loa Loa (eye worm) hypothetical protein 0.0359 0.3563 1
Echinococcus multilocularis heat shock protein 0.002 0.0044 0.0044
Echinococcus granulosus lamin dm0 0.0033 0.0175 0.0491
Mycobacterium ulcerans hypothetical protein 0.0043 0.0288 1
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0288 0.0912
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0175 0.0443
Giardia lamblia Heat shock protein HSP 90-alpha 0.002 0.0044 0.5
Mycobacterium ulcerans lipase LipD 0.0043 0.0288 1
Entamoeba histolytica heat shock protein 90, putative 0.002 0.0044 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0035 0.0047
Loa Loa (eye worm) hypothetical protein 0.0041 0.0264 0.0741
Schistosoma mansoni pyruvate dehydrogenase 0.0359 0.3563 1
Loa Loa (eye worm) endoplasmin 0.002 0.0044 0.0124
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0035 0.0035
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.002 0.0044 0.0074
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0359 0.3563 0.3563
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.002 0.0044 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0288 1
Schistosoma mansoni pyruvate dehydrogenase 0.0339 0.3355 0.9413
Giardia lamblia Pms1-like protein 0.002 0.0044 0.5
Mycobacterium tuberculosis Conserved protein 0.0043 0.0288 0.0912
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0288 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0264 0.0694
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0288 0.0912
Loa Loa (eye worm) hypothetical protein 0.0019 0.0035 0.0097
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.272 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0462 0.1252
Leishmania major hypothetical protein, conserved 0.003 0.0153 0.0309
Onchocerca volvulus 0.0043 0.0288 0.1187
Schistosoma mansoni heat shock protein 0.002 0.0044 0.0027
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.002 0.0044 0.5
Leishmania major hypothetical protein, conserved 0.0043 0.0288 0.0693
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0125 0.1139 0.3113
Echinococcus multilocularis lamin 0.0033 0.0175 0.0175
Brugia malayi hypothetical protein 0.002 0.0041 0.0065
Mycobacterium ulcerans beta-lactamase 0.0043 0.0288 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0288 0.0719
Loa Loa (eye worm) hypothetical protein 0.002 0.0044 0.0124
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0125 0.1139 0.3113
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.2099 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0153 0.0309
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0125 0.1139 0.8409
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0288 0.0912
Echinococcus multilocularis GPCR, family 2 0.0019 0.0035 0.0035
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0153 0.0309
Brugia malayi Endoplasmin precursor 0.002 0.0044 0.0074
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0153 1
Schistosoma mansoni heat shock protein 0.002 0.0044 0.0027
Onchocerca volvulus 0.0033 0.0175 0.0636
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0288 0.0809
Brugia malayi beta-lactamase family protein 0.0043 0.0288 0.0762
Brugia malayi DNA topoisomerase II, alpha isozyme 0.002 0.0044 0.0074
Trichomonas vaginalis esterase, putative 0.0043 0.0288 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0288 1
Brugia malayi intermediate filament protein 0.0033 0.0175 0.0443
Loa Loa (eye worm) hypothetical protein 0.002 0.0044 0.0124
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0288 0.0288
Echinococcus granulosus heat shock protein 90 0.002 0.0044 0.0124
Loa Loa (eye worm) hypothetical protein 0.0043 0.0288 0.0809
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0035 0.0047
Brugia malayi Probable DNA topoisomerase II 0.002 0.0044 0.0074
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0288 1
Echinococcus granulosus lamin 0.0033 0.0175 0.0491
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0288 0.0762
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0288 0.0809
Echinococcus granulosus DNA topoisomerase 2 alpha 0.002 0.0044 0.0124
Loa Loa (eye worm) heat shock protein 90 0.002 0.0044 0.0124
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0288 0.0693
Trypanosoma brucei developmentally regulated phosphoprotein 0.0359 0.3563 1
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0359 0.3563 1
Leishmania major developmentally regulated phosphoprotein-like protein 0.0359 0.3563 1
Schistosoma mansoni hypothetical protein 0.0205 0.1961 0.5459
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0288 0.0693
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0288 1
Onchocerca volvulus 0.0033 0.0175 0.0636
Toxoplasma gondii ABC1 family protein 0.0043 0.0288 0.1873
Onchocerca volvulus 0.0043 0.0288 0.1187
Mycobacterium tuberculosis Conserved protein 0.0043 0.0288 0.0912
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0462 0.1296
Schistosoma mansoni intermediate filament proteins 0.0033 0.0175 0.0398
Loa Loa (eye worm) beta-lactamase 0.0043 0.0288 0.0809
Schistosoma mansoni pyruvate dehydrogenase 0.0339 0.3355 0.9413
Brugia malayi beta-lactamase 0.0043 0.0288 0.0762
Loa Loa (eye worm) hypothetical protein 0.0043 0.0288 0.0809
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0288 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0288 0.0719
Brugia malayi beta-lactamase family protein 0.0043 0.0288 0.0762
Echinococcus multilocularis geminin 0.0205 0.1961 0.1961
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0359 0.3563 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0288 0.0912
Loa Loa (eye worm) hypothetical protein 0.003 0.0153 0.0429
Loa Loa (eye worm) TOPoisomerase family member 0.002 0.0044 0.0124
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.002 0.0044 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0462 0.1296
Schistosoma mansoni DNA topoisomerase II 0.002 0.0044 0.0027
Loa Loa (eye worm) hypothetical protein 0.0043 0.0288 0.0809
Entamoeba histolytica heat shock protein 90, putative 0.002 0.0044 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0288 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0288 0.0693
Schistosoma mansoni hypothetical protein 0.0041 0.0264 0.065
Treponema pallidum chemotaxis histidine kinase (cheA) 0.002 0.0044 0.5
Schistosoma mansoni endoplasmin 0.002 0.0044 0.0027
Onchocerca volvulus 0.0043 0.0288 0.1187
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0018 0.005
Echinococcus granulosus heat shock protein 0.002 0.0044 0.0124
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.002 0.0044 0.5
Echinococcus granulosus GPCR family 2 0.0019 0.0035 0.0097
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0035 0.0097
Echinococcus granulosus intermediate filament protein 0.0033 0.0175 0.0491
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0175 0.0491
Echinococcus multilocularis musashi 0.0033 0.0175 0.0175
Echinococcus multilocularis heat shock protein 90 0.002 0.0044 0.0044
Echinococcus granulosus geminin 0.0205 0.1961 0.5503
Brugia malayi kinase, mitochondrial precursor 0.0359 0.3563 1
Schistosoma mansoni endoplasmin 0.002 0.0044 0.0027
Chlamydia trachomatis DNA gyrase subunit B 0.002 0.0044 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0035 0.0035
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0153 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0175 0.0491
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.002 0.0044 0.5
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0145 0.1347 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0359 0.3563 0.3563
Loa Loa (eye worm) hypothetical protein 0.0043 0.0288 0.0809
Brugia malayi hypothetical protein 0.003 0.0153 0.038
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0462 0.1252
Echinococcus multilocularis lamin dm0 0.0033 0.0175 0.0175
Loa Loa (eye worm) hypothetical protein 0.0032 0.0169 0.0474
Loa Loa (eye worm) hypothetical protein 0.0218 0.2099 0.5893
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0288 0.0912
Loa Loa (eye worm) hypothetical protein 0.0043 0.0288 0.0809
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0288 0.0912
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0288 1
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0288 0.0912
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0035 0.0097
Entamoeba histolytica DNA topoisomerase II, putative 0.002 0.0044 0.5
Schistosoma mansoni lamin 0.0033 0.0175 0.0398
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0288 1
Chlamydia trachomatis DNA gyrase subunit B 0.002 0.0044 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0288 0.0912
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0035 0.0097

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 5.8048 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 398.1072 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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