Detailed information for compound 768628

Basic information

Technical information
  • TDR Targets ID: 768628
  • Name: diethyl 4-[(3-chloro-2-methylphenyl)amino]qui noline-3,6-dicarboxylate
  • MW: 412.866 | Formula: C22H21ClN2O4
  • H donors: 1 H acceptors: 3 LogP: 5.71 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc2c(c1)c(Nc1cccc(c1C)Cl)c(cn2)C(=O)OCC
  • InChi: 1S/C22H21ClN2O4/c1-4-28-21(26)14-9-10-19-15(11-14)20(16(12-24-19)22(27)29-5-2)25-18-8-6-7-17(23)13(18)3/h6-12H,4-5H2,1-3H3,(H,24,25)
  • InChiKey: VXRQARDHQBSKLN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • diethyl 4-[(3-chloro-2-methyl-phenyl)amino]quinoline-3,6-dicarboxylate
  • 4-[(3-chloro-2-methylphenyl)amino]quinoline-3,6-dicarboxylic acid diethyl ester
  • 4-[(3-chloro-2-methyl-phenyl)amino]quinoline-3,6-dicarboxylic acid diethyl ester
  • ZINC00952863
  • Oprea1_784617
  • EU-0045817
  • ST5193224
  • Oprea1_005793

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
Loa Loa (eye worm) hypothetical protein 0.0192 0.1165 0.2213
Onchocerca volvulus 0.0192 0.1165 1
Brugia malayi PHD-finger family protein 0.0053 0.0219 0.0415
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.005 0.0198 0.4246
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0259 0.1624 0.1623
Schistosoma mansoni hypothetical protein 0.0166 0.0989 0.0989
Echinococcus granulosus GPCR family 2 0.0166 0.0989 0.0989
Loa Loa (eye worm) hypothetical protein 0.015 0.0881 0.1673
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0047 0.0182 0.0845
Echinococcus granulosus beta LACTamase domain containing family member 0.0192 0.1165 0.1164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0111 0.0618
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.006 0.0158
Trichomonas vaginalis penicillin-binding protein, putative 0.0192 0.1165 1
Schistosoma mansoni bromodomain containing protein 0.0134 0.0774 0.0773
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0076 0.0378 0.0378
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0111 0.0618
Loa Loa (eye worm) hypothetical protein 0.0192 0.1165 0.2213
Brugia malayi Bromodomain containing protein 0.0159 0.0943 0.179
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.005 0.0198 0.0918
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.005 0.0198 0.0702
Brugia malayi hypothetical protein 0.0079 0.0399 0.0756
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0129 0.0773
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0166 0.0989 0.0989
Loa Loa (eye worm) bromodomain containing protein 0.0037 0.0114 0.0216
Mycobacterium tuberculosis Conserved protein 0.0192 0.1165 0.0133
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.0253 0.0963
Loa Loa (eye worm) PHD-finger family protein 0.0044 0.0157 0.0297
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0047 0.0182 0.0627
Schistosoma mansoni thyroid hormone receptor 0.028 0.1765 0.1765
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0166 0.0989 0.0989
Echinococcus multilocularis tar DNA binding protein 0.0792 0.5263 0.5262
Mycobacterium tuberculosis Conserved protein 0.0192 0.1165 0.0133
Brugia malayi Flap endonuclease-1 0.0028 0.005 0.0094
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0106 0.0105
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.005 0.0198 0.4246
Leishmania major hypothetical protein, conserved 0.0032 0.008 0.0143
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0192 0.1165 0.1164
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0192 0.1165 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.016 0.0947 0.4255
Trypanosoma cruzi hypothetical protein, conserved 0.0192 0.1165 0.529
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0166 0.0989 0.0989
Loa Loa (eye worm) hypothetical protein 0.0192 0.1165 0.2213
Leishmania major hypothetical protein, conserved 0.0192 0.1165 0.529
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0166 0.0989 0.1879
Brugia malayi Latrophilin receptor protein 2 0.0166 0.0989 0.1879
Brugia malayi RNA binding protein 0.0792 0.5263 1
Mycobacterium tuberculosis Conserved protein 0.0192 0.1165 0.0133
Echinococcus granulosus tar DNA binding protein 0.0792 0.5263 0.5262
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.0717 0.1361
Brugia malayi latrophilin 2 splice variant baaae 0.0358 0.2301 0.4371
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0192 0.1165 0.2213
Entamoeba histolytica hypothetical protein 0.0079 0.0399 1
Schistosoma mansoni hypothetical protein 0.0044 0.0157 0.0157
Schistosoma mansoni tar DNA-binding protein 0.0792 0.5263 0.5262
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0028 0.005 0.0232
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.005 0.0198 0.0702
Mycobacterium ulcerans beta-lactamase 0.0192 0.1165 1
Schistosoma mansoni flap endonuclease-1 0.0025 0.0032 0.0031
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0192 0.1165 0.1164
Mycobacterium tuberculosis Probable hydrolase 0.0192 0.1165 0.0133
Mycobacterium leprae conserved hypothetical protein 0.0192 0.1165 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0792 0.5263 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0106 0.0105
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.004 0.0129 0.0375
Echinococcus multilocularis tumor protein p63 0.0345 0.2209 0.2208
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0337 0.2158 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.0182 0.0627
Mycobacterium tuberculosis Probable lipase LipE 0.0192 0.1165 0.0133
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0042 0.0002
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0024 0.002 0.009
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0079 0.0399 0.0398
Onchocerca volvulus 0.0192 0.1165 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0087 0.0397
Trichomonas vaginalis flap endonuclease-1, putative 0.0028 0.005 0.0073
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.005 0.0198 0.0197
Loa Loa (eye worm) hypothetical protein 0.0192 0.1165 0.2213
Mycobacterium ulcerans esterase/lipase LipP 0.0192 0.1165 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0198 0.1391
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.005 0.0198 0.0702
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.016 0.0947 0.4389
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0106 0.0105
Schistosoma mansoni tar DNA-binding protein 0.0792 0.5263 0.5262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0042 0.0002
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0524 0.3431 0.6519
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0129 0.0773
Toxoplasma gondii ABC1 family protein 0.0192 0.1165 1
Schistosoma mansoni hypothetical protein 0.0166 0.0989 0.0989
Trichomonas vaginalis D-aminoacylase, putative 0.0192 0.1165 1
Schistosoma mansoni hypothetical protein 0.0358 0.2301 0.23
Brugia malayi TAR-binding protein 0.0792 0.5263 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0042 0.0002
Trichomonas vaginalis penicillin-binding protein, putative 0.0192 0.1165 1
Schistosoma mansoni microtubule-associated protein tau 0.1487 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0129 0.0773
Schistosoma mansoni hypothetical protein 0.0166 0.0989 0.0989
Trypanosoma brucei hypothetical protein, conserved 0.0192 0.1165 0.5399
Plasmodium falciparum flap endonuclease 1 0.0028 0.005 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0048 0.0185 0.0184
Loa Loa (eye worm) hypothetical protein 0.005 0.0203 0.0384
Entamoeba histolytica hypothetical protein 0.0079 0.0399 1
Mycobacterium tuberculosis Probable lipase LipD 0.0192 0.1165 0.0133
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.0717 0.1361
Loa Loa (eye worm) hypothetical protein 0.0036 0.0106 0.0199
Loa Loa (eye worm) hypothetical protein 0.0081 0.0414 0.0784
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.005 0.0198 0.0918
Echinococcus granulosus flap endonuclease 1 0.0028 0.005 0.0049
Schistosoma mansoni hypothetical protein 0.0079 0.0399 0.0398
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0076 0.0378 0.0378
Echinococcus multilocularis microtubule associated protein 2 0.1487 1 1
Loa Loa (eye worm) beta-lactamase 0.0192 0.1165 0.2213
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0524 0.3431 0.6519
Schistosoma mansoni zinc finger protein 0.0041 0.0142 0.0141
Onchocerca volvulus 0.005 0.0203 0.1737
Schistosoma mansoni thyroid hormone receptor 0.028 0.1765 0.1765
Loa Loa (eye worm) hypothetical protein 0.0192 0.1165 0.2213
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0106 0.0105
Schistosoma mansoni transcription factor LCR-F1 0.0079 0.0399 0.0398
Brugia malayi MH2 domain containing protein 0.0126 0.0717 0.1361
Loa Loa (eye worm) hypothetical protein 0.0524 0.3431 0.6519
Trypanosoma cruzi ISWI complex protein 0.0032 0.008 0.0143
Loa Loa (eye worm) hypothetical protein 0.0086 0.0448 0.0849
Entamoeba histolytica hypothetical protein 0.0079 0.0399 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0111 0.0618
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0048 0.0185 0.0184
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0062 0.0176
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0198 0.1391
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.005 0.0198 0.0702
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.005 0.0198 0.0375
Trichomonas vaginalis D-aminoacylase, putative 0.0192 0.1165 1
Brugia malayi beta-lactamase family protein 0.0192 0.1165 0.2213
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0042 0.0002
Mycobacterium ulcerans lipase LipD 0.0192 0.1165 1
Brugia malayi beta-lactamase 0.0192 0.1165 0.2213
Loa Loa (eye worm) latrophilin receptor protein 2 0.0166 0.0989 0.1879
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0337 0.2158 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0106 0.0105
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.016 0.0947 0.4255
Echinococcus granulosus methyl CpG binding domain protein 2 0.0036 0.0106 0.0105
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0079 0.0399 0.0398
Schistosoma mansoni hypothetical protein 0.0259 0.1624 0.1623
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0111 0.0618
Loa Loa (eye worm) hypothetical protein 0.0192 0.1165 0.2213
Schistosoma mansoni zinc finger protein 0.0032 0.008 0.0079
Loa Loa (eye worm) TAR-binding protein 0.0792 0.5263 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0111 0.0618
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0106 0.0105
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0036 0.0106 0.0105
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0129 0.0773
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0127 0.0722 0.0721
Schistosoma mansoni hypothetical protein 0.0166 0.0989 0.0989
Trichomonas vaginalis D-aminoacylase, putative 0.0192 0.1165 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0192 0.1165 0.2213
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0203 0.0202
Toxoplasma gondii target of rapamycin (TOR), putative 0.0037 0.0111 0.0549
Mycobacterium tuberculosis Possible penicillin-binding protein 0.1223 0.8202 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0149 0.095
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0111 0.0618
Trypanosoma cruzi hypothetical protein, conserved 0.0192 0.1165 0.529
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0111 0.0618
Loa Loa (eye worm) hypothetical protein 0.009 0.0475 0.0902
Echinococcus multilocularis flap endonuclease 1 0.0028 0.005 0.0049
Brugia malayi Calcitonin receptor-like protein seb-1 0.0524 0.3431 0.6519
Schistosoma mansoni tar DNA-binding protein 0.0792 0.5263 0.5262
Onchocerca volvulus 0.0192 0.1165 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.006 0.0158
Echinococcus multilocularis zinc finger protein 0.0041 0.0142 0.0141
Toxoplasma gondii hypothetical protein 0.0054 0.023 0.1612
Mycobacterium tuberculosis Probable esterase LipL 0.0192 0.1165 0.0133
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0259 0.1624 0.1623
Schistosoma mansoni tar DNA-binding protein 0.0792 0.5263 0.5262
Mycobacterium ulcerans hypothetical protein 0.0192 0.1165 1
Trichomonas vaginalis esterase, putative 0.0192 0.1165 1
Plasmodium vivax hypothetical protein, conserved 0.0192 0.1165 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0192 0.1165 0.1164
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0198 0.1391
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0192 0.1165 0.0133
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.005 0.0198 0.0197
Loa Loa (eye worm) phosphatidylinositol 3 0.005 0.0198 0.0375
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.005 0.0198 0.0197
Entamoeba histolytica hypothetical protein 0.0079 0.0399 1
Leishmania major mitochondrial DNA polymerase beta 0.0337 0.2158 1
Loa Loa (eye worm) hypothetical protein 0.0166 0.0989 0.1879
Echinococcus multilocularis GPCR, family 2 0.0166 0.0989 0.0989
Brugia malayi Bromodomain containing protein 0.0081 0.0413 0.0783
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0129 0.0773
Trypanosoma brucei ISWI complex protein 0.0032 0.008 0.0372
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0048 0.0185 0.0184
Trypanosoma cruzi target of rapamycin kinase 3 0.004 0.0129 0.0375
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0079 0.0332
Echinococcus multilocularis thyroid hormone receptor alpha 0.028 0.1765 0.1765
Echinococcus granulosus tumor protein p63 0.0345 0.2209 0.2208
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0062 0.0176
Echinococcus granulosus zinc finger protein 0.0041 0.0142 0.0141
Loa Loa (eye worm) hypothetical protein 0.0358 0.2301 0.4371
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0337 0.2158 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0792 0.5263 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0127 0.0722 0.0721
Trypanosoma brucei target of rapamycin kinase 3, putative 0.004 0.0129 0.0598
Mycobacterium leprae Probable lipase LipE 0.0192 0.1165 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0062 0.0176
Schistosoma mansoni hypothetical protein 0.0032 0.008 0.0079
Schistosoma mansoni tar DNA-binding protein 0.0792 0.5263 0.5262
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.0182 0.0627
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0192 0.1165 0.0133
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0192 0.1165 0.0133
Loa Loa (eye worm) flap endonuclease-1 0.0028 0.005 0.0094
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0166 0.0989 0.0989
Loa Loa (eye worm) RNA binding protein 0.0792 0.5263 1
Brugia malayi beta-lactamase family protein 0.0192 0.1165 0.2213
Trypanosoma cruzi ISWI complex protein 0.0032 0.008 0.0143
Giardia lamblia GTOR 0.005 0.0198 1

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.