Detailed information for compound 1469397

Basic information

Technical information
  • TDR Targets ID: 1469397
  • Name: [2-(diethylaminomethyl)-4-[(1,1-dioxo-1,2-ben zothiazol-3-yl)amino]phenyl] 2-methylpropanoa te
  • MW: 429.532 | Formula: C22H27N3O4S
  • H donors: 1 H acceptors: 3 LogP: 3.4 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(Cc1cc(ccc1OC(=O)C(C)C)NC1=NS(=O)(=O)c2c1cccc2)CC
  • InChi: 1S/C22H27N3O4S/c1-5-25(6-2)14-16-13-17(11-12-19(16)29-22(26)15(3)4)23-21-18-9-7-8-10-20(18)30(27,28)24-21/h7-13,15H,5-6,14H2,1-4H3,(H,23,24)
  • InChiKey: NOEGSCORQNNDKH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methylpropanoic acid [2-(diethylaminomethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] ester
  • 2-methylpropionic acid [2-(diethylaminomethyl)-4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl] ester
  • BAS 02519544
  • EU-0078535

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
Echinococcus granulosus geminin 0.0167 0.253 0.372
Schistosoma mansoni hypothetical protein 0.0167 0.253 0.372
Brugia malayi Latrophilin receptor protein 2 0.0016 0.014 0.0261
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0704 0.1456
Trypanosoma cruzi Vps23 core domain containing protein, putative 0.0022 0.0227 0.7496
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0163 0.0016
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0047 0.0619 0.4928
Loa Loa (eye worm) hypothetical protein 0.0018 0.0163 0.0309
Loa Loa (eye worm) glutaminase 2 0.0306 0.4734 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0198 0.0035
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0259 0.5
Schistosoma mansoni hypothetical protein 0.0303 0.4695 0.6902
Leishmania major GTP-binding protein, putative 0.0021 0.0211 0.161
Leishmania major hypothetical protein, conserved 0.0025 0.0283 1
Plasmodium vivax importin-beta 2, putative 0.0028 0.033 0.017
Echinococcus multilocularis dnaJ subfamily B 0.0436 0.6802 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0017 0.0025
Brugia malayi Importin beta-1 subunit 0.0028 0.033 0.0665
Brugia malayi hypothetical protein 0.0069 0.0967 0.2015
Schistosoma mansoni cpg binding protein 0.0032 0.0393 0.0578
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0303 0.4695 0.9918
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0637 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0443 0.0903
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.014 0.0261
Loa Loa (eye worm) hypothetical protein 0.005 0.0671 0.1386
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0259 0.7182
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0198 0.0292
Echinococcus multilocularis cpg binding protein 0.0032 0.0393 0.0578
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0637 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0198 0.029
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0259 0.0097
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0028 0.0023
Loa Loa (eye worm) glutaminase 0.0306 0.4734 1
Echinococcus granulosus Smad4 0.0009 0.0017 0.0025
Schistosoma mansoni ap endonuclease 0.002 0.0198 0.029
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0704 0.1456
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0198 0.029
Echinococcus granulosus importin subunit beta 1 0.0028 0.033 0.0486
Brugia malayi hypothetical protein 0.0025 0.0283 0.0563
Loa Loa (eye worm) hypothetical protein 0.0024 0.0259 0.0512
Mycobacterium ulcerans glutaminase 0.0306 0.4734 0.4646
Schistosoma mansoni hypothetical protein 0.0016 0.014 0.0206
Loa Loa (eye worm) hypothetical protein 0.0025 0.0283 0.0563
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0259 0.0097
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0198 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0198 0.1204
Mycobacterium ulcerans hypothetical protein 0.0024 0.0259 0.0097
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0211 0.0412
Schistosoma mansoni smad 0.0009 0.0017 0.0025
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0259 0.1743
Loa Loa (eye worm) hypothetical protein 0.0016 0.014 0.0261
Brugia malayi CXXC zinc finger family protein 0.0031 0.0365 0.0739
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0245 0.8303
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.014 0.0206
Brugia malayi RNA, U transporter 1 0.0081 0.1162 0.2428
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0259 0.1743
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0283 0.0122
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.091 0.1338
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0198 0.6159
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0211 0.0227
Schistosoma mansoni cpg binding protein 0.0032 0.0393 0.0578
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.006 0.0088
Loa Loa (eye worm) hypothetical protein 0.0035 0.0443 0.0903
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0259 0.0113
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0259 0.0097
Loa Loa (eye worm) hypothetical protein 0.0018 0.0163 0.0309
Schistosoma mansoni tsg101-related 0.0057 0.0785 0.1154
Schistosoma mansoni importin beta-1 0.0028 0.033 0.0486
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0259 0.1743
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.033 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0704 0.1456
Loa Loa (eye worm) hypothetical protein 0.0024 0.0259 0.0512
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0283 0.0122
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0283 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0259 0.0097
Schistosoma mansoni hypothetical protein 0.0436 0.6802 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0704 0.1456
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0637 1 1
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0671 0.0986
Loa Loa (eye worm) hypothetical protein 0.0018 0.0163 0.0309
Loa Loa (eye worm) hypothetical protein 0.0018 0.0163 0.0309
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0211 1
Entamoeba histolytica fatty acid elongase, putative 0.0083 0.1194 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0259 0.0512
Echinococcus granulosus dnaJ subfamily B 0.0436 0.6802 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0198 0.0035
Schistosoma mansoni smad1 5 8 and 0.0009 0.0017 0.0025
Echinococcus granulosus smad 0.0009 0.0017 0.0025
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0283 0.8226
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0245 0.0393
Brugia malayi glutaminase DH11.1 0.0306 0.4734 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0967 0.2015
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0637 1 1
Schistosoma mansoni tsg101-related 0.0057 0.0785 0.1154
Echinococcus granulosus tumor protein p63 0.0341 0.5286 0.7771
Entamoeba histolytica fatty acid elongase, putative 0.0083 0.1194 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0211 0.0311
Echinococcus multilocularis GPCR, family 2 0.0016 0.014 0.0206
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0211 0.6777
Trichomonas vaginalis ran, putative 0.0021 0.0211 0.0321
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0198 0.0383
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0211 0.0049
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.19 0.3992
Schistosoma mansoni cpg binding protein 0.0031 0.0365 0.0537
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0283 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0283 0.0122
Echinococcus granulosus cpg binding protein 0.0032 0.0393 0.0578
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0211 0.5575
Schistosoma mansoni glutaminase 0.0306 0.4734 0.6959
Echinococcus granulosus GPCR family 2 0.0016 0.014 0.0206
Schistosoma mansoni Smad4 0.0009 0.0017 0.0025
Brugia malayi hypothetical protein 0.0016 0.014 0.026
Schistosoma mansoni smad1 5 8 and 0.0009 0.0017 0.0025
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.08 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0017 0.0025
Loa Loa (eye worm) hypothetical protein 0.0028 0.033 0.0665
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0637 1 1
Schistosoma mansoni ran 0.0021 0.0211 0.0311
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.006 0.0088
Echinococcus multilocularis importin subunit beta 1 0.0028 0.033 0.0486
Loa Loa (eye worm) hypothetical protein 0.0018 0.0163 0.0309
Loa Loa (eye worm) histone methyltransferase 0.0009 0.003 0.0027
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.014 0.0206
Loa Loa (eye worm) hypothetical protein 0.0024 0.0259 0.0512
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0259 0.0097
Trichomonas vaginalis hypothetical protein 0.0033 0.0409 0.0745
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.19 0.3992
Echinococcus multilocularis tumor protein p63 0.0341 0.5286 0.7771
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.014 0.0261
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0259 0.0113
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0283 0.1411
Echinococcus multilocularis geminin 0.0167 0.253 0.372
Schistosoma mansoni hypothetical protein 0.0167 0.253 0.372
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.014 0.0206
Schistosoma mansoni tsg101-related 0.0047 0.0619 0.091
Schistosoma mansoni hypothetical protein 0.0035 0.0443 0.0651
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0637 1 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0259 0.0512
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.033 0.2204
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.003 0.0044
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0198 0.0383
Schistosoma mansoni smad1 5 8 and 0.0009 0.0017 0.0025
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0198 0.0292
Trichomonas vaginalis glutaminase, putative 0.0306 0.4734 1
Schistosoma mansoni hypothetical protein 0.0016 0.014 0.0206
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0259 0.7182
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0259 0.7182
Entamoeba histolytica hypothetical protein 0.0023 0.0245 0.1623
Entamoeba histolytica fatty acid elongase, putative 0.0083 0.1194 1
Echinococcus multilocularis Smad4 0.0009 0.0017 0.0025
Schistosoma mansoni hypothetical protein 0.0016 0.014 0.0206
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0198 0.6159
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0017 0.0025
Echinococcus granulosus snurportin 1 0.0303 0.4695 0.6902
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0211 0.6777
Entamoeba histolytica fatty acid elongase, putative 0.0083 0.1194 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.014 0.0206
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.003 0.0044
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0069 0.0967 0.1422
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0211 0.0412
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0259 0.5
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0245 0.0393
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0198 0.0035
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0211 0.0049
Entamoeba histolytica Ran family GTPase 0.0021 0.0211 0.1325
Onchocerca volvulus 0.005 0.0671 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0259 0.0097
Echinococcus multilocularis smad 0.0009 0.0017 0.0025
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0069 0.0967 0.1422
Echinococcus multilocularis snurportin 1 0.0303 0.4695 0.6902
Trypanosoma brucei Vps23 core domain containing protein, putative 0.0022 0.0227 0.6166
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0637 1 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0211 0.0311
Brugia malayi MH2 domain containing protein 0.0127 0.19 0.3992
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0017 0.0025
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0259 0.0097
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0017 0.0025
Plasmodium falciparum importin beta, putative 0.0028 0.033 0.017
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0259 0.0512
Entamoeba histolytica fatty acid elongase, putative 0.0083 0.1194 1
Schistosoma mansoni hypothetical protein 0.0011 0.006 0.0088
Leishmania major importin beta-1 subunit, putative 0.0023 0.0245 0.5583
Leishmania major hypothetical protein, conserved 0.0022 0.0227 0.3482
Schistosoma mansoni hypothetical protein 0.0016 0.014 0.0206
Schistosoma mansoni ap endonuclease 0.002 0.0198 0.029
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0245 0.0393
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0365 0.0739
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.033 1
Onchocerca volvulus 0.0031 0.0365 0.259
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0198 0.5066
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0198 0.0051
Schistosoma mansoni ran 0.0021 0.0211 0.0311

Activities

No activities found for this compound.

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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