Detailed information for compound 1449278

Basic information

Technical information
  • TDR Targets ID: 1449278
  • Name: ZINC02632256
  • MW: 326.775 | Formula: C15H19ClN2O4
  • H donors: 2 H acceptors: 2 LogP: 2.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(N)c(cc1C(=O)OCC(=O)NC1CCCC1)Cl
  • InChi: 1S/C15H19ClN2O4/c1-21-13-7-12(17)11(16)6-10(13)15(20)22-8-14(19)18-9-4-2-3-5-9/h6-7,9H,2-5,8,17H2,1H3,(H,18,19)
  • InChiKey: DDTIZZYMZTWWOH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Oprea1_369128
  • T5228618

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
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.026 0.0188
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.005 0.1055 0.2411
Entamoeba histolytica dolichyl-diphosphooligosaccharide-protein glycotransferase, putative 0.0092 0.2143 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0678 0.0793
Loa Loa (eye worm) hypothetical protein 0.0113 0.2666 0.4707
Brugia malayi intermediate filament protein 0.0026 0.0452 0.1075
Mycobacterium ulcerans thymidylate synthase 0.0105 0.2463 1
Plasmodium falciparum plasmepsin VI 0.0049 0.1026 0.2736
Brugia malayi CXXC zinc finger family protein 0.0028 0.0496 0.1199
Plasmodium falciparum plasmepsin I 0.0049 0.1026 0.2736
Plasmodium falciparum plasmepsin IV 0.0049 0.1026 0.2736
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.5527 1
Onchocerca volvulus 0.0028 0.0496 0.1768
Trypanosoma brucei unspecified product 0.0019 0.026 0.0434
Echinococcus granulosus cpg binding protein 0.003 0.0537 0.0537
Echinococcus granulosus geminin 0.0165 0.4013 0.4013
Mycobacterium ulcerans hypothetical protein 0.002 0.0282 0.0097
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.026 0.0434
Loa Loa (eye worm) hypothetical protein 0.0075 0.1693 0.299
Chlamydia trachomatis endonuclease IV 0.0075 0.1693 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.1115 0.1969
Echinococcus granulosus lamin 0.0026 0.0452 0.0452
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.026 0.0434
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0147 0.3558 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.026 0.0531
Loa Loa (eye worm) hypothetical protein 0.0032 0.0599 0.1057
Loa Loa (eye worm) dolichyl-di-phosphooligosaccharide-protein glycotransferase 0.0092 0.2143 0.3784
Onchocerca volvulus 0.0026 0.0452 0.1585
Loa Loa (eye worm) beta-lactamase 0.0035 0.0678 0.1196
Onchocerca volvulus 0.0035 0.0678 0.253
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.1212 0.2885
Echinococcus multilocularis integrin alpha ps 0.0067 0.149 0.149
Echinococcus multilocularis integrin alpha ps 0.0032 0.0599 0.0599
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.026 0.0434
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0105 0.2463 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0678 0.1266
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.1212 0.3231
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0678 0.1196
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) 0.0075 0.1693 0.2721
Brugia malayi Hypothetical 29.7 kDa protein C05D11.5 in chromosome III 0.002 0.0282 0.0592
Schistosoma mansoni integrin alpha-ps 0.0035 0.0669 0.0601
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0012 0.0073 0.0129
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0049 0.1026 0.1812
Plasmodium vivax dolichyl-diphosphooligosaccharide--protein glycosyltransferase, putative 0.0092 0.2143 0.594
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative 0.0075 0.1693 0.4649
Mycobacterium tuberculosis Conserved protein 0.0035 0.0678 0.0793
Schistosoma mansoni cpg binding protein 0.003 0.0537 0.0467
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.1212 0.1147
Toxoplasma gondii aspartyl protease ASP1 0.0049 0.1026 0.2736
Loa Loa (eye worm) thymidylate synthase 0.0105 0.2463 0.4349
Loa Loa (eye worm) hypothetical protein 0.0035 0.0678 0.1196
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0678 0.0678
Schistosoma mansoni dihydrofolate reductase 0.0043 0.0873 0.0806
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0147 0.3558 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0678 0.2217
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase 0.0075 0.1693 0.4599
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0678 0.1895
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.026 0.0434
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0678 0.1735
Loa Loa (eye worm) hypothetical protein 0.0012 0.0073 0.0129
Echinococcus granulosus dihydrofolate reductase 0.0043 0.0873 0.0873
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0496 0.0875
Schistosoma mansoni hypothetical protein 0.0165 0.4013 0.3969
Loa Loa (eye worm) hypothetical protein 0.0012 0.0091 0.016
Loa Loa (eye worm) hypothetical protein 0.0012 0.0091 0.016
Toxoplasma gondii ABC1 family protein 0.0035 0.0678 0.1735
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.026 0.0434
Loa Loa (eye worm) hypothetical protein 0.0082 0.1885 0.3327
Schistosoma mansoni lamin 0.0026 0.0452 0.0382
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0678 0.0793
Brugia malayi Dolichyl-diphosphooligosaccharide--protein glycosyltransferase 48 kDasubunit precursor 0.0092 0.2143 0.5876
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.026 0.0188
Loa Loa (eye worm) aspartyl protease 6 0.0012 0.0073 0.0129
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0103 0.0103
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0043 0.0873 0.1163
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.026 0.026
Schistosoma mansoni dolichyl-diphosphooligosaccharide-protein glycosyltransferase 0.0092 0.2143 0.2086
Loa Loa (eye worm) hypothetical protein 0.0035 0.0669 0.1182
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0678 0.2217
Brugia malayi dihydrofolate reductase family protein 0.0043 0.0873 0.227
Loa Loa (eye worm) hypothetical protein 0.0035 0.0678 0.1196
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0678 0.2217
Echinococcus granulosus dna polymerase kappa 0.0019 0.026 0.026
Trichomonas vaginalis esterase, putative 0.0035 0.0678 0.2217
Schistosoma mansoni lamin 0.0026 0.0452 0.0382
Trichomonas vaginalis dolichyl-diphosphooligosaccharide--protein glycosyltransferase, putative 0.0092 0.2143 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0147 0.3558 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0678 0.0793
Loa Loa (eye worm) hypothetical protein 0.0117 0.2776 0.4901
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0678 0.1266
Loa Loa (eye worm) hypothetical protein 0.0049 0.1026 0.1812
Echinococcus granulosus integrin alpha ps 0.0067 0.149 0.149
Loa Loa (eye worm) hypothetical protein 0.002 0.0282 0.0497
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0678 0.1815
Plasmodium vivax aspartyl proteinase, putative 0.0049 0.1026 0.2736
Loa Loa (eye worm) hypothetical protein 0.0026 0.044 0.0776
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0105 0.2463 0.4183
Loa Loa (eye worm) hypothetical protein 0.0035 0.0678 0.1196
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.1212 0.4318
Onchocerca volvulus 0.0105 0.2463 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0139 0.0245
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0678 0.0793
Mycobacterium tuberculosis Hypothetical protein 0.005 0.1055 0.151
Onchocerca volvulus 0.0026 0.0452 0.1585
Brugia malayi thymidylate synthase 0.0105 0.2463 0.6783
Mycobacterium ulcerans beta-lactamase 0.0035 0.0678 0.1895
Toxoplasma gondii dolichyl-diphosphooligosaccharide--protein glycosyltransferase 0.0092 0.2143 0.594
Echinococcus multilocularis geminin 0.0165 0.4013 0.4013
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0043 0.0873 0.2781
Plasmodium falciparum apurinic/apyrimidinic endonuclease Apn1, putative 0.0075 0.1693 0.4649
Brugia malayi beta-lactamase family protein 0.0035 0.0678 0.1716
Plasmodium falciparum plasmepsin II 0.0049 0.1026 0.2736
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0049 0.1026 0.4069
Onchocerca volvulus 0.0035 0.0678 0.253
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0678 0.2217
Echinococcus multilocularis cpg binding protein 0.003 0.0537 0.0537
Schistosoma mansoni cathepsin D (A01 family) 0.0143 0.3459 0.3411
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0282 0.0041
Loa Loa (eye worm) hypothetical protein 0.0026 0.0452 0.0798
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0049 0.1026 0.1026
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.1212 0.4318
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.026 0.0459
Loa Loa (eye worm) hypothetical protein 0.0012 0.0073 0.0129
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0103 0.0103
Schistosoma mansoni integrin alpha 0.0149 0.3597 0.3549
Schistosoma mansoni cathepsin D (A01 family) 0.0143 0.3459 0.3411
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.026 0.0434
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.026 0.0434
Brugia malayi hypothetical protein 0.005 0.1055 0.2788
Mycobacterium ulcerans lipase LipD 0.0035 0.0678 0.1895
Trichomonas vaginalis conserved hypothetical protein 0.005 0.1055 0.4223
Brugia malayi Dihydrofolate reductase 0.0043 0.0873 0.227
Entamoeba histolytica dolichyl-di-phosphooligosaccharide-protein glycotransferase, putative 0.0092 0.2143 1
Echinococcus multilocularis lamin 0.0026 0.0452 0.0452
Echinococcus granulosus dna polymerase eta 0.0019 0.026 0.026
Mycobacterium tuberculosis Conserved protein 0.0035 0.0678 0.0793
Toxoplasma gondii endonuclease IV APN 0.0075 0.1693 0.4649
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.1138 0.3055
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0049 0.1026 0.2736
Mycobacterium ulcerans endonuclease IV 0.0075 0.1693 0.6506
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0147 0.3558 1
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0678 0.0793
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0678 0.0793
Mycobacterium leprae PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE) 0.0075 0.1693 0.6471
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0452 0.0798
Schistosoma mansoni hypothetical protein 0.0165 0.4013 0.3969
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.026 0.0434
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0452 0.0798
Onchocerca volvulus 0.0035 0.0678 0.253
Mycobacterium ulcerans sugar phosphate isomerases/epimerases 0.002 0.0282 0.0097
Entamoeba histolytica dolichyl-diphosphooligosaccharide-protein glycotransferase, putative 0.0042 0.0862 0.3195
Echinococcus multilocularis thymidylate synthase 0.0105 0.2463 0.2463
Schistosoma mansoni cpg binding protein 0.0028 0.0496 0.0426
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.026 0.0434
Mycobacterium ulcerans epimerase 0.002 0.0282 0.0097
Schistosoma mansoni cpg binding protein 0.003 0.0537 0.0467
Schistosoma mansoni intermediate filament proteins 0.0026 0.0452 0.0382
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0049 0.1026 0.096
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0678 0.0678
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.1212 0.1212
Plasmodium falciparum dolichyl-diphosphooligosaccharide--protein glycosyltransferase, putative 0.0092 0.2143 0.594
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0678 0.1645
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0678 0.1716
Echinococcus multilocularis integrin alpha ps 0.0067 0.149 0.149
Loa Loa (eye worm) integrin alpha pat-2 0.0229 0.5665 1
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0678 0.0793
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0043 0.0873 0.271
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.026 0.0434
Loa Loa (eye worm) hypothetical protein 0.0035 0.0678 0.1196
Mycobacterium tuberculosis Conserved protein 0.0035 0.0678 0.0793
Schistosoma mansoni hypothetical protein 0.0398 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0452 0.1075
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.026 0.0434
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.026 0.0434
Brugia malayi beta-lactamase family protein 0.0035 0.0678 0.1716
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0678 0.0609
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.13 0.1236
Brugia malayi beta-lactamase 0.0035 0.0678 0.1716
Echinococcus multilocularis integrin alpha 3 0.0114 0.2705 0.2705
Loa Loa (eye worm) dihydrofolate reductase 0.0043 0.0873 0.1541
Echinococcus granulosus dolichyl diphosphooligosaccharide protein 0.0092 0.2143 0.2143
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0147 0.3558 1
Brugia malayi Integrin alpha pat-2 precursor 0.0149 0.3597 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0678 0.1895
Schistosoma mansoni DNA polymerase eta 0.0019 0.026 0.0188
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0049 0.1026 0.1026
Echinococcus multilocularis musashi 0.0026 0.0452 0.0452
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.1212 0.1807
Giardia lamblia DINP protein human, muc B family 0.0019 0.026 0.5
Echinococcus multilocularis dolichyl diphosphooligosaccharide protein 0.0092 0.2143 0.2143
Echinococcus granulosus integrin alpha ps 0.0032 0.0599 0.0599
Loa Loa (eye worm) hypothetical protein 0.0019 0.026 0.0459
Loa Loa (eye worm) hypothetical protein 0.0035 0.0678 0.1196
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0147 0.3558 1
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.026 0.0434
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0105 0.2463 0.2408
Echinococcus granulosus thymidylate synthase 0.0105 0.2463 0.2463
Schistosoma mansoni hypothetical protein 0.0032 0.0599 0.0529
Echinococcus granulosus intermediate filament protein 0.0026 0.0452 0.0452
Schistosoma mansoni integrin alpha-ps 0.0067 0.149 0.1427
Loa Loa (eye worm) hypothetical protein 0.0013 0.0103 0.0182
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.026 0.026
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0139 0.0187
Echinococcus multilocularis dna polymerase kappa 0.0019 0.026 0.026
Echinococcus granulosus integrin alpha 3 0.0114 0.2705 0.2705
Echinococcus multilocularis dna polymerase eta 0.0019 0.026 0.026
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0678 0.2217
Loa Loa (eye worm) hypothetical protein 0.0035 0.0678 0.1196
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.026 0.0434
Mycobacterium leprae Probable lipase LipE 0.0035 0.0678 0.1815
Onchocerca volvulus Putative hydroxypyruvate isomerase 0.002 0.0282 0.0873
Leishmania major hypothetical protein, conserved 0.0035 0.0678 0.1266
Echinococcus multilocularis lamin dm0 0.0026 0.0452 0.0452
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0678 0.1895
Echinococcus multilocularis dihydrofolate reductase 0.0043 0.0873 0.0873
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.026 0.0531
Echinococcus multilocularis dnaJ subfamily B 0.0398 1 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.1212 0.1212
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0678 0.0609
Plasmodium vivax plasmepsin IV, putative 0.0049 0.1026 0.2736
Echinococcus granulosus lamin dm0 0.0026 0.0452 0.0452
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0113 0.2666 0.736

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 39.8107 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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