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

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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