Detailed information for compound 768590

Basic information

Technical information
  • TDR Targets ID: 768590
  • Name: diethyl 4-[(3-propoxycarbonylphenyl)amino]qui noline-3,6-dicarboxylate
  • MW: 450.484 | Formula: C25H26N2O6
  • H donors: 1 H acceptors: 4 LogP: 5.47 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOC(=O)c1cccc(c1)Nc1c(cnc2c1cc(cc2)C(=O)OCC)C(=O)OCC
  • InChi: 1S/C25H26N2O6/c1-4-12-33-24(29)16-8-7-9-18(13-16)27-22-19-14-17(23(28)31-5-2)10-11-21(19)26-15-20(22)25(30)32-6-3/h7-11,13-15H,4-6,12H2,1-3H3,(H,26,27)
  • InChiKey: MDBZSWDNJWISSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[3-(oxo-propoxymethyl)phenyl]amino]quinoline-3,6-dicarboxylic acid diethyl ester
  • 4-[(3-propoxycarbonylphenyl)amino]quinoline-3,6-dicarboxylic acid diethyl ester
  • Oprea1_331430
  • ZINC01775638
  • ST5193248
  • Oprea1_399585

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 transcription factor LCR-F1 0.0081 0.0403 0.04
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0125 0.0757
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0168 0.0982 0.098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0108 0.0604
Trichomonas vaginalis D-aminoacylase, putative 0.0193 0.1152 1
Schistosoma mansoni bromodomain containing protein 0.0134 0.0756 0.0753
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0076 0.037 0.0367
Toxoplasma gondii target of rapamycin (TOR), putative 0.0037 0.0108 0.0486
Mycobacterium leprae Probable lipase LipE 0.0193 0.1152 0.5
Brugia malayi Bromodomain containing protein 0.0159 0.0921 0.1757
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0049 0.0192 0.0189
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0049 0.0192 0.0189
Echinococcus granulosus GPCR family 2 0.0168 0.0982 0.098
Loa Loa (eye worm) hypothetical protein 0.015 0.0861 0.1642
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.0187 0.0628
Mycobacterium tuberculosis Probable hydrolase 0.0193 0.1152 0.0111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0108 0.0604
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0058 0.0155
Trichomonas vaginalis D-aminoacylase, putative 0.0193 0.1152 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0193 0.1152 0.22
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0192 0.1361
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0193 0.1152 0.0111
Brugia malayi PHD-finger family protein 0.0053 0.0215 0.0406
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.026 0.1598 0.1596
Schistosoma mansoni hypothetical protein 0.0168 0.0982 0.098
Schistosoma mansoni hypothetical protein 0.0168 0.0982 0.098
Loa Loa (eye worm) RNA binding protein 0.0805 0.5226 1
Echinococcus granulosus tar DNA binding protein 0.0805 0.5226 0.5225
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0193 0.1152 0.1149
Loa Loa (eye worm) hypothetical protein 0.0193 0.1152 0.22
Mycobacterium tuberculosis Probable esterase LipL 0.0193 0.1152 0.0111
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0163 0.0951 0.4401
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0168 0.0982 0.098
Mycobacterium ulcerans lipase LipD 0.0193 0.1152 1
Trypanosoma brucei hypothetical protein, conserved 0.0193 0.1152 0.5329
Onchocerca volvulus 0.0193 0.1152 1
Brugia malayi Latrophilin receptor protein 2 0.0168 0.0982 0.1875
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0036 0.0104 0.0101
Giardia lamblia GTOR 0.0049 0.0192 1
Schistosoma mansoni hypothetical protein 0.0032 0.0079 0.0076
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0059 0.0258 0.0964
Loa Loa (eye worm) PHD-finger family protein 0.0044 0.0155 0.029
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0048 0.0181 0.0179
Echinococcus multilocularis thyroid hormone receptor alpha 0.0281 0.1737 0.1735
Loa Loa (eye worm) latrophilin receptor protein 2 0.0168 0.0982 0.1875
Brugia malayi TAR-binding protein 0.0805 0.5226 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0193 0.1152 1
Echinococcus multilocularis flap endonuclease 1 0.0029 0.0054 0.0052
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0187 0.0628
Trichomonas vaginalis penicillin-binding protein, putative 0.0193 0.1152 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0041 0.0002
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0023 0.0019 0.0087
Entamoeba histolytica hypothetical protein 0.0081 0.0403 1
Onchocerca volvulus 0.0193 0.1152 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0039 0.0125 0.0578
Echinococcus multilocularis tumor protein p63 0.0352 0.2212 0.221
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0345 0.2162 1
Mycobacterium ulcerans esterase/lipase LipP 0.0193 0.1152 1
Schistosoma mansoni flap endonuclease-1 0.0026 0.0036 0.0033
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0193 0.1152 0.1149
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0193 0.1152 0.0111
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0193 0.1152 1
Echinococcus multilocularis tar DNA binding protein 0.0805 0.5226 0.5225
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0104 0.0101
Brugia malayi MH2 domain containing protein 0.0127 0.0707 0.1348
Brugia malayi latrophilin 2 splice variant baaae 0.0363 0.228 0.436
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0081 0.0403 0.04
Leishmania major hypothetical protein, conserved 0.0193 0.1152 0.5208
Schistosoma mansoni hypothetical protein 0.0044 0.0155 0.0152
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.006 0.0172
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0805 0.5226 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0049 0.0192 0.0652
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0041 0.0002
Schistosoma mansoni microtubule-associated protein tau 0.1521 1 1
Mycobacterium tuberculosis Probable lipase LipE 0.0193 0.1152 0.0111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0125 0.0757
Brugia malayi Flap endonuclease-1 0.0029 0.0054 0.0099
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0168 0.0982 0.098
Onchocerca volvulus 0.0193 0.1152 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0048 0.0181 0.0179
Trichomonas vaginalis esterase, putative 0.0193 0.1152 1
Schistosoma mansoni hypothetical protein 0.0363 0.228 0.2278
Brugia malayi RNA recognition motif domain containing protein 0.0805 0.5226 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0531 0.3399 0.6502
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0039 0.0125 0.0335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0041 0.0002
Plasmodium vivax hypothetical protein, conserved 0.0193 0.1152 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.0982 0.1875
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0084 0.0389
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0049 0.0192 0.3943
Echinococcus granulosus flap endonuclease 1 0.0029 0.0054 0.0052
Loa Loa (eye worm) hypothetical protein 0.0193 0.1152 0.22
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0192 0.1361
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0193 0.1152 0.22
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0049 0.0192 0.0652
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0163 0.0951 0.4256
Schistosoma mansoni tar DNA-binding protein 0.0805 0.5226 0.5225
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0104 0.0101
Echinococcus granulosus zinc finger protein 0.0041 0.014 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0192 0.1361
Schistosoma mansoni thyroid hormone receptor 0.0281 0.1737 0.1735
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0104 0.0101
Mycobacterium tuberculosis Conserved protein 0.0193 0.1152 0.0111
Entamoeba histolytica hypothetical protein 0.0081 0.0403 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0126 0.0705 0.0702
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0531 0.3399 0.6502
Trypanosoma cruzi ISWI complex protein 0.0032 0.0079 0.0118
Loa Loa (eye worm) flap endonuclease-1 0.0029 0.0054 0.0099
Echinococcus multilocularis microtubule associated protein 2 0.1521 1 1
Brugia malayi Bromodomain containing protein 0.0081 0.0404 0.0767
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0076 0.037 0.0367
Loa Loa (eye worm) hypothetical protein 0.0193 0.1152 0.22
Loa Loa (eye worm) hypothetical protein 0.0531 0.3399 0.6502
Loa Loa (eye worm) phosphatidylinositol 3 0.0049 0.0192 0.0362
Entamoeba histolytica hypothetical protein 0.0081 0.0403 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0126 0.0705 0.0702
Loa Loa (eye worm) hypothetical protein 0.0193 0.1152 0.22
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0104 0.0101
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0081 0.0403 0.04
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0049 0.0192 0.0652
Loa Loa (eye worm) hypothetical protein 0.0081 0.0405 0.0769
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.026 0.1598 0.1596
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0108 0.0604
Trypanosoma cruzi hypothetical protein, conserved 0.0193 0.1152 0.5208
Echinococcus multilocularis GPCR, family 2 0.0168 0.0982 0.098
Leishmania major mitochondrial DNA polymerase beta 0.0345 0.2162 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0036 0.0104 0.0101
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0163 0.0951 0.4256
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0104 0.0101
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0049 0.0192 0.0888
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0049 0.0192 0.0362
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0049 0.0192 0.0189
Loa Loa (eye worm) beta-lactamase 0.0193 0.1152 0.22
Mycobacterium ulcerans hypothetical protein 0.0193 0.1152 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0041 0.0002
Brugia malayi beta-lactamase family protein 0.0193 0.1152 0.22
Loa Loa (eye worm) hypothetical protein 0.0086 0.0438 0.0833
Brugia malayi hypothetical protein 0.0081 0.0403 0.0766
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0108 0.0604
Echinococcus granulosus fetal alzheimer antigen falz 0.0048 0.0181 0.0179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0058 0.0155
Echinococcus multilocularis beta LACTamase domain containing family member 0.0193 0.1152 0.1149
Loa Loa (eye worm) hypothetical protein 0.0193 0.1152 0.22
Toxoplasma gondii ABC1 family protein 0.0193 0.1152 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0193 0.1152 0.0111
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0207 0.0205
Loa Loa (eye worm) hypothetical protein 0.0052 0.0207 0.0391
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0049 0.0192 0.3943
Entamoeba histolytica hypothetical protein 0.0081 0.0403 1
Onchocerca volvulus 0.0052 0.0207 0.1779
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0345 0.2162 1
Loa Loa (eye worm) hypothetical protein 0.009 0.0465 0.0884
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.006 0.0172
Schistosoma mansoni tar DNA-binding protein 0.0805 0.5226 0.5225
Brugia malayi Calcitonin receptor-like protein seb-1 0.0531 0.3399 0.6502
Loa Loa (eye worm) hypothetical protein 0.0193 0.1152 0.22
Echinococcus multilocularis zinc finger protein 0.0041 0.014 0.0137
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0029 0.0054 0.0252
Toxoplasma gondii hypothetical protein 0.0056 0.0234 0.1639
Schistosoma mansoni hypothetical protein 0.026 0.1598 0.1596
Mycobacterium tuberculosis Conserved protein 0.0193 0.1152 0.0111
Loa Loa (eye worm) TAR-binding protein 0.0805 0.5226 1
Mycobacterium leprae conserved hypothetical protein 0.0193 0.1152 0.5
Schistosoma mansoni hypothetical protein 0.0168 0.0982 0.098
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.0707 0.1348
Echinococcus granulosus beta LACTamase domain containing family member 0.0193 0.1152 0.1149
Mycobacterium tuberculosis Conserved protein 0.0193 0.1152 0.0111
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0049 0.0192 0.0888
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0108 0.0604
Mycobacterium tuberculosis Possible penicillin-binding protein 0.1235 0.8095 1
Mycobacterium tuberculosis Probable lipase LipD 0.0193 0.1152 0.0111
Loa Loa (eye worm) bromodomain containing protein 0.0037 0.0113 0.021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0144 0.0929
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0108 0.0604
Brugia malayi beta-lactamase 0.0193 0.1152 0.22
Leishmania major hypothetical protein, conserved 0.0032 0.0079 0.0118
Schistosoma mansoni tar DNA-binding protein 0.0805 0.5226 0.5225
Loa Loa (eye worm) hypothetical protein 0.0036 0.0104 0.0194
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0108 0.0604
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0104 0.0101
Trypanosoma cruzi target of rapamycin kinase 3 0.0039 0.0125 0.0335
Schistosoma mansoni zinc finger protein 0.0032 0.0079 0.0076
Schistosoma mansoni tar DNA-binding protein 0.0805 0.5226 0.5225
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0187 0.0628
Trichomonas vaginalis D-aminoacylase, putative 0.0193 0.1152 1
Plasmodium falciparum flap endonuclease 1 0.0029 0.0054 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0193 0.1152 0.5208
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0168 0.0982 0.098
Brugia malayi RNA binding protein 0.0805 0.5226 1
Mycobacterium ulcerans beta-lactamase 0.0193 0.1152 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0049 0.0192 0.0652
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0077 0.0325
Echinococcus granulosus tumor protein p63 0.0352 0.2212 0.221
Trichomonas vaginalis flap endonuclease-1, putative 0.0029 0.0054 0.0124
Loa Loa (eye worm) hypothetical protein 0.0363 0.228 0.436
Schistosoma mansoni zinc finger protein 0.0041 0.014 0.0137
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0345 0.2162 1
Schistosoma mansoni tar DNA-binding protein 0.0805 0.5226 0.5225
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0125 0.0757
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.0707 0.1348
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.006 0.0172
Brugia malayi beta-lactamase family protein 0.0193 0.1152 0.22
Trypanosoma brucei ISWI complex protein 0.0032 0.0079 0.0367
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.0187 0.0864
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0125 0.0757
Trypanosoma cruzi ISWI complex protein 0.0032 0.0079 0.0118
Schistosoma mansoni thyroid hormone receptor 0.0281 0.1737 0.1735
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0168 0.0982 0.1875
Schistosoma mansoni hypothetical protein 0.0081 0.0403 0.04
Schistosoma mansoni hypothetical protein 0.0168 0.0982 0.098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0125 0.0757

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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