Detailed information for compound 1296976

Basic information

Technical information
  • TDR Targets ID: 1296976
  • Name: [1-[(3-acetylphenyl)amino]-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate
  • MW: 368.406 | Formula: C19H16N2O4S
  • H donors: 1 H acceptors: 4 LogP: 3.22 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(=O)Nc1cccc(c1)C(=O)C)OC(=O)c1ccc2c(c1)scn2
  • InChi: 1S/C19H16N2O4S/c1-11(22)13-4-3-5-15(8-13)21-18(23)12(2)25-19(24)14-6-7-16-17(9-14)26-10-20-16/h3-10,12H,1-2H3,(H,21,23)
  • InChiKey: GUZYJEYCSRQVPK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-[(3-acetylphenyl)amino]-1-methyl-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate
  • 1,3-benzothiazole-6-carboxylic acid [2-[(3-acetylphenyl)amino]-1-methyl-2-oxoethyl] ester
  • 1,3-benzothiazole-6-carboxylic acid [2-[(3-acetylphenyl)amino]-2-keto-1-methyl-ethyl] ester
  • [1-[(3-ethanoylphenyl)amino]-1-oxo-propan-2-yl] 1,3-benzothiazole-6-carboxylate
  • T5379343

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens v-ets avian erythroblastosis virus E26 oncogene homolog 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
Schistosoma japonicum ko:K09435 transcriptional regulator ERG, putative Get druggable targets OG5_131947 All targets in OG5_131947
Schistosoma mansoni ets-related Get druggable targets OG5_131947 All targets in OG5_131947
Loa Loa (eye worm) fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Brugia malayi Fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) RNA binding protein 0.013 0.0203 0.063
Loa Loa (eye worm) fli-1 protein 0.0265 0.0522 0.1619
Schistosoma mansoni jumonji domain containing protein 0.0086 0.01 0.0439
Brugia malayi MH2 domain containing protein 0.1417 0.3228 1
Entamoeba histolytica hypothetical protein 0.0077 0.0079 0.0444
Trypanosoma cruzi PAB1-binding protein , putative 0.0086 0.0101 1
Brugia malayi MH1 domain containing protein 0.0053 0.0024 0.0075
Schistosoma mansoni ran 0.007 0.0062 0.0274
Plasmodium vivax ataxin-2 like protein, putative 0.0086 0.0101 0.6537
Schistosoma mansoni gabp alpha 0.0087 0.0104 0.0458
Echinococcus multilocularis GPCR, family 2 0.0118 0.0176 0.0176
Brugia malayi latrophilin 2 splice variant baaae 0.0255 0.0498 0.1543
Echinococcus multilocularis tar DNA binding protein 0.013 0.0203 0.0203
Brugia malayi hypothetical protein 0.0229 0.0437 0.1354
Echinococcus multilocularis GTP binding nuclear protein Ran 0.007 0.0062 0.0062
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.0104 0.0322
Plasmodium falciparum ataxin-2 like protein, putative 0.0086 0.0101 0.6537
Brugia malayi MH2 domain containing protein 0.0097 0.0125 0.0389
Brugia malayi jmjC domain containing protein 0.0108 0.0152 0.047
Schistosoma mansoni smad1 5 8 and 0.0097 0.0125 0.0552
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0058 0.018
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.007 0.0062 0.0193
Brugia malayi hypothetical protein 0.0055 0.0029 0.009
Toxoplasma gondii LsmAD domain-containing protein 0.0086 0.0101 0.6537
Plasmodium falciparum ataxin-2 like protein, putative 0.0086 0.0101 0.6537
Schistosoma mansoni tar DNA-binding protein 0.013 0.0203 0.0895
Leishmania major hypothetical protein, conserved 0.0086 0.0101 1
Entamoeba histolytica hypothetical protein 0.0229 0.0437 1
Toxoplasma gondii HEAT repeat-containing protein 0.0095 0.0121 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0125 0.0549
Echinococcus granulosus smad 0.0097 0.0125 0.0552
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.007 0.0062 0.0193
Loa Loa (eye worm) transcription factor SMAD2 0.1417 0.3228 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0097 0.0125 0.0552
Echinococcus granulosus Smad4 0.0097 0.0125 0.0552
Loa Loa (eye worm) hypothetical protein 0.0118 0.0176 0.0545
Echinococcus granulosus GA binding protein alpha chain 0.0087 0.0104 0.0458
Plasmodium vivax importin-beta 2, putative 0.0095 0.0121 1
Brugia malayi RNA, U transporter 1 0.0269 0.0531 0.1643
Brugia malayi RNA recognition motif domain containing protein 0.013 0.0203 0.063
Trypanosoma cruzi importin beta-1 subunit, putative 0.0077 0.0079 0.434
Schistosoma mansoni ran 0.007 0.0062 0.0274
Echinococcus granulosus GTP binding nuclear protein Ran 0.007 0.0062 0.0274
Schistosoma mansoni transcription factor LCR-F1 0.0229 0.0437 0.1924
Echinococcus multilocularis smad 0.0097 0.0125 0.0125
Brugia malayi MH1 domain containing protein 0.0097 0.0125 0.0389
Schistosoma mansoni smad1 5 8 and 0.0097 0.0125 0.0552
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.007 0.0062 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0108 0.0152 0.0152
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0097 0.0125 0.0552
Brugia malayi hypothetical protein 0.0086 0.0101 0.0311
Schistosoma mansoni tar DNA-binding protein 0.013 0.0203 0.0895
Brugia malayi RNA binding protein 0.013 0.0203 0.063
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0373 0.0776 0.2403
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0077 0.0079 1
Echinococcus granulosus snurportin 1 0.101 0.2271 1
Brugia malayi Fli-1 protein 0.0265 0.0522 0.1619
Schistosoma mansoni tar DNA-binding protein 0.013 0.0203 0.0895
Echinococcus granulosus tar DNA binding protein 0.013 0.0203 0.0895
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0125 0.0386
Loa Loa (eye worm) hypothetical protein 0.0086 0.0101 0.0311
Schistosoma mansoni importin beta-1 0.0095 0.0121 0.0532
Schistosoma mansoni hypothetical protein 0.0118 0.0176 0.0775
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0118 0.0176 0.0545
Loa Loa (eye worm) nuclear factor I 0.0053 0.0024 0.0075
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0125 0.0125
Schistosoma mansoni hypothetical protein 0.101 0.2271 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0097 0.0125 0.0389
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0373 0.0776 0.2403
Schistosoma mansoni hypothetical protein 0.055 0.119 0.5242
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0229 0.0437 0.0437
Loa Loa (eye worm) MH1 domain-containing protein 0.0097 0.0125 0.0389
Echinococcus multilocularis GA binding protein alpha chain 0.0087 0.0104 0.0104
Entamoeba histolytica hypothetical protein 0.0229 0.0437 1
Entamoeba histolytica hypothetical protein 0.0229 0.0437 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0118 0.0176 0.0775
Loa Loa (eye worm) latrophilin receptor protein 2 0.0118 0.0176 0.0545
Echinococcus granulosus importin subunit beta 1 0.0095 0.0121 0.0532
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0125 0.0386
Schistosoma mansoni tar DNA-binding protein 0.013 0.0203 0.0895
Loa Loa (eye worm) hypothetical protein 0.0095 0.0121 0.0374
Brugia malayi Smad1 0.0097 0.0125 0.0389
Loa Loa (eye worm) hypothetical protein 0.0075 0.0074 0.023
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.0006 0.0006
Brugia malayi TAR-binding protein 0.013 0.0203 0.063
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0125 0.0549
Brugia malayi MH1 domain containing protein 0.0097 0.0125 0.0389
Trypanosoma cruzi PAB1-binding protein , putative 0.0086 0.0101 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0095 0.0121 1
Schistosoma mansoni smad 0.0097 0.0125 0.0552
Loa Loa (eye worm) hypothetical protein 0.0053 0.0024 0.0075
Brugia malayi Ets-domain containing protein 0.0087 0.0104 0.0322
Trichomonas vaginalis importin beta-1, putative 0.0077 0.0079 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0118 0.0176 0.0775
Schistosoma mansoni hypothetical protein 0.0229 0.0437 0.1924
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0077 0.0079 1
Schistosoma mansoni hypothetical protein 0.055 0.119 0.5242
Plasmodium falciparum importin beta, putative 0.0095 0.0121 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0125 0.0549
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0118 0.0176 0.0176
Echinococcus multilocularis snurportin 1 0.101 0.2271 0.2271
Echinococcus granulosus geminin 0.055 0.119 0.5242
Schistosoma mansoni Smad4 0.0097 0.0125 0.0552
Loa Loa (eye worm) TAR-binding protein 0.013 0.0203 0.063
Trypanosoma brucei importin beta-1 subunit, putative 0.0095 0.0121 1
Schistosoma mansoni tar DNA-binding protein 0.013 0.0203 0.0895
Echinococcus granulosus TGF beta signal transducer SmadC 0.0097 0.0125 0.0552
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0125 0.0125
Loa Loa (eye worm) Smad1 0.0097 0.0125 0.0389
Brugia malayi Importin beta-1 subunit 0.0095 0.0121 0.0374
Echinococcus multilocularis geminin 0.055 0.119 0.119
Echinococcus multilocularis mothers against decapentaplegic 5 0.0097 0.0125 0.0125
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0097 0.0125 0.0125
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0108 0.0152 0.0669
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.0203 0.063
Loa Loa (eye worm) hypothetical protein 0.0056 0.0031 0.0097
Brugia malayi Calcitonin receptor-like protein seb-1 0.0373 0.0776 0.2403
Brugia malayi Ets-domain containing protein 0.0087 0.0104 0.0322
Leishmania major importin beta-1 subunit, putative 0.0077 0.0079 0.434
Schistosoma mansoni smad1 5 8 and 0.0097 0.0125 0.0552
Loa Loa (eye worm) hypothetical protein 0.0255 0.0498 0.1543
Schistosoma mansoni hypothetical protein 0.0118 0.0176 0.0775
Trypanosoma brucei PAB1-binding protein , putative 0.0086 0.0101 0.6537
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0118 0.0176 0.0176
Entamoeba histolytica hypothetical protein 0.0229 0.0437 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0229 0.0437 0.1924
Echinococcus multilocularis Smad4 0.0097 0.0125 0.0125
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0125 0.0549
Schistosoma mansoni ets-related 0.0265 0.0522 0.2301
Brugia malayi MH1 domain containing protein 0.0053 0.0024 0.0075
Echinococcus multilocularis importin subunit beta 1 0.0095 0.0121 0.0121
Loa Loa (eye worm) hypothetical protein 0.0373 0.0776 0.2403
Echinococcus granulosus jumonji domain containing protein 0.0046 0.0006 0.0027
Brugia malayi MH2 domain containing protein 0.0097 0.0125 0.0389
Schistosoma mansoni hypothetical protein 0.0118 0.0176 0.0775
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0125 0.0549
Schistosoma mansoni hypothetical protein 0.0118 0.0176 0.0775
Loa Loa (eye worm) MH2 domain-containing protein 0.1417 0.3228 1
Brugia malayi Latrophilin receptor protein 2 0.0118 0.0176 0.0545
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.101 0.2271 0.7035
Schistosoma mansoni hypothetical protein 0.0255 0.0498 0.2193
Echinococcus granulosus GPCR family 2 0.0118 0.0176 0.0775

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 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
Potency (functional) 10 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] 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) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 18.526 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) 25.9185 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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