Detailed information for compound 866067

Basic information

Technical information
  • TDR Targets ID: 866067
  • Name: 2-methyl-7-[[4-(phenylmethoxy)phenyl]-(pyridi n-2-ylamino)methyl]quinolin-8-ol
  • MW: 447.528 | Formula: C29H25N3O2
  • H donors: 2 H acceptors: 3 LogP: 6.14 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(n1)c(O)c(cc2)C(c1ccc(cc1)OCc1ccccc1)Nc1ccccn1
  • InChi: 1S/C29H25N3O2/c1-20-10-11-23-14-17-25(29(33)28(23)31-20)27(32-26-9-5-6-18-30-26)22-12-15-24(16-13-22)34-19-21-7-3-2-4-8-21/h2-18,27,33H,19H2,1H3,(H,30,32)
  • InChiKey: YAKIHTLSDZJKPO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methyl-7-[[4-(phenylmethoxy)phenyl]-(2-pyridylamino)methyl]quinolin-8-ol
  • 2-methyl-7-[[4-(phenylmethoxy)phenyl]-(2-pyridylamino)methyl]-8-quinolinol
  • 7-[[4-(benzyloxy)phenyl]-(2-pyridylamino)methyl]-2-methyl-quinolin-8-ol
  • 6633-53-0
  • EU-0013228

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) CXXC zinc finger family protein 0.0033 0.0043 0.0043
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0008 0.0029
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0075 0.0075
Plasmodium vivax SET domain protein, putative 0.0035 0.0045 0.0175
Echinococcus multilocularis elongation of very long chain fatty acids 0.0418 0.0664 0.522
Plasmodium falciparum fatty acid elongation protein, GNS1/SUR4 family, putative 0.161 0.2589 1
Plasmodium falciparum long chain fatty acid elongation enzyme, putative 0.161 0.2589 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0025 0.0195
Trypanosoma cruzi fatty acid elongase, putative 0.0401 0.0636 0.2456
Schistosoma mansoni hypothetical protein 0.0477 0.0759 0.5985
Loa Loa (eye worm) hypothetical protein 0.0035 0.0045 0.0045
Loa Loa (eye worm) fatty acid elongation protein 3 0.0401 0.0636 0.0636
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0095
Brugia malayi fatty acid elongation protein 3 0.0401 0.0636 0.0636
Leishmania major fatty acid elongase, putative 0.0418 0.0664 0.2563
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0075 0.0562
Schistosoma mansoni microtubule-associated protein tau 0.0792 0.1268 1
Schistosoma mansoni hypothetical protein 0.0042 0.0057 0.0447
Plasmodium vivax GNS1/SUR4 domain containing protein 0.161 0.2589 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0042 0.0302
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0057 0.0417
Brugia malayi fatty acid elongation protein 3 0.0401 0.0636 0.0636
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0401 0.0636 0.0636
Brugia malayi fatty acid elongation protein 3 0.0401 0.0636 0.0636
Brugia malayi GNS1/SUR4 family protein 0.161 0.2589 0.2589
Brugia malayi MH2 domain containing protein 0.0137 0.021 0.021
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0038 0.005 1
Onchocerca volvulus Elongation of very long chain fatty acids protein 5 homolog 0.0401 0.0636 1
Loa Loa (eye worm) Smad1 0.0009 0.0004 0.0004
Echinococcus granulosus elongation of very long chain fatty acids 0.0418 0.0664 0.522
Loa Loa (eye worm) fatty acid elongation protein 3 0.0401 0.0636 0.0636
Schistosoma mansoni cpg binding protein 0.0035 0.0046 0.0363
Echinococcus multilocularis cpg binding protein 0.0035 0.0046 0.0333
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0025 0.0095
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0014 0.0052
Trypanosoma brucei Fatty acid elongase 0.0401 0.0636 0.2456
Schistosoma mansoni elongation of fatty acids protein 1 0.0401 0.0636 0.5015
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0025 0.0025
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0025 0.0095
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0007 0.0007
Toxoplasma gondii integral membrane protein, GNS1/SUR4 family protein, putative 0.161 0.2589 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0004 0.0004
Schistosoma mansoni fatty acid acyl transferase-related 0.0418 0.0664 0.5235
Loa Loa (eye worm) glutaminase 0.0319 0.0503 0.0503
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0095
Entamoeba histolytica hypothetical protein 0.0042 0.0057 0.9853
Schistosoma mansoni elongation of fatty acids protein 1 0.0401 0.0636 0.5015
Leishmania major fatty acid elongase, putative 0.161 0.2589 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0004 0.0003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0075 0.0592
Trypanosoma cruzi fatty acid elongase, putative 0.0418 0.0664 0.2563
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0045 0.0328
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0401 0.0636 1
Echinococcus granulosus cpg binding protein 0.0035 0.0046 0.0333
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0095
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0004 0.0004
Leishmania major DNA polymerase kappa, putative 0.0022 0.0025 0.0095
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0025 0.049
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0057 0.0417
Leishmania major long chain polyunsaturated fatty acid elongation enzyme-like protein 0.0418 0.0664 0.2563
Leishmania major fatty acid elongase, putative 0.0401 0.0636 0.2456
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0095
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0057 0.1114
Trichomonas vaginalis glutaminase, putative 0.0319 0.0503 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0004 0.0031
Loa Loa (eye worm) GNS1/SUR4 family protein 0.6199 1 1
Plasmodium falciparum long chain polyunsaturated fatty acid elongation enzyme, putative 0.0418 0.0664 0.2563
Leishmania major fatty acid elongase, putative 0.161 0.2589 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.021 0.021
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0025 0.0468
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0008 0.0029
Schistosoma mansoni Smad4 0.0009 0.0004 0.0031
Loa Loa (eye worm) glutaminase 2 0.0319 0.0503 0.0503
Toxoplasma gondii histone lysine methyltransferase SET1 0.0065 0.0093 0.0361
Brugia malayi glutaminase DH11.1 0.0319 0.0503 0.0503
Brugia malayi MH2 domain containing protein 0.0009 0.0004 0.0004
Giardia lamblia DINP protein human, muc B family 0.0022 0.0025 1
Trypanosoma brucei unspecified product 0.0015 0.0014 0.0052
Leishmania major fatty acid elongase, putative 0.0401 0.0636 0.2456
Echinococcus multilocularis dna polymerase eta 0.0022 0.0025 0.0164
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0045 0.0358
Brugia malayi fatty acid elongation protein 3 0.0401 0.0636 0.0636
Trypanosoma cruzi fatty acid elongase, putative 0.161 0.2589 1
Loa Loa (eye worm) fatty acid elongation protein 3 0.161 0.2589 0.2589
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.0057 0.042
Echinococcus granulosus dnaJ subfamily B 0.0477 0.0759 0.5972
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0045 0.0358
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0025 0.049
Leishmania major DNA polymerase eta, putative 0.0022 0.0025 0.0095
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0057 0.0221
Brugia malayi MH1 domain containing protein 0.0009 0.0004 0.0004
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0004 0.0003
Brugia malayi Smad1 0.0009 0.0004 0.0004
Brugia malayi MH1 domain containing protein 0.0009 0.0004 0.0004
Trypanosoma brucei Fatty acid elongase 0.161 0.2589 1
Schistosoma mansoni cpg binding protein 0.0035 0.0046 0.0363
Schistosoma mansoni smad1 5 8 and 0.0009 0.0004 0.0031
Schistosoma mansoni glutaminase 0.0319 0.0503 0.3971
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0014 0.0052
Schistosoma mansoni elongation of fatty acids protein 1 0.0418 0.0664 0.5235
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0025 0.0095
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0004 0.0003
Trypanosoma cruzi fatty acid elongase, putative 0.0401 0.0636 0.2456
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0075 0.0562
Brugia malayi Inositol-1 0.0042 0.0057 0.0057
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.0057 0.042
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0025 0.0095
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0042 0.0057 0.1134
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0025 0.0468
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.0057 0.5
Loa Loa (eye worm) ELO-9 protein 0.0401 0.0636 0.0636
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0025 0.0164
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0075 0.0562
Brugia malayi CXXC zinc finger family protein 0.0033 0.0043 0.0043
Onchocerca volvulus 0.0035 0.0045 0.0041
Echinococcus granulosus microtubule associated protein 2 0.0792 0.1268 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0095
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0057 0.0221
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0008 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0075 0.0592
Leishmania major fatty acid elongase, putative 0.0401 0.0636 0.2456
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0045 0.0358
Brugia malayi hypothetical protein 0.0042 0.0057 0.0057
Mycobacterium ulcerans glutaminase 0.0319 0.0503 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0095
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0045 0.0328
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0045 0.0328
Leishmania major fatty acid elongase, putative 0.0401 0.0636 0.2456
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0025 0.0025
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0057 0.0447
Brugia malayi Pre-SET motif family protein 0.024 0.0376 0.0376
Echinococcus granulosus dna polymerase kappa 0.0022 0.0025 0.0164
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.021 0.021
Echinococcus granulosus dna polymerase eta 0.0022 0.0025 0.0164
Leishmania major fatty acid elongase, putative 0.0401 0.0636 0.2456
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0057 0.0221
Loa Loa (eye worm) fatty acid elongation protein 3 0.0401 0.0636 0.0636
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0025 0.0095
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0057 0.0221
Entamoeba histolytica hypothetical protein 0.0042 0.0057 0.9853
Trypanosoma brucei Fatty acid elongase 0.0401 0.0636 0.2456
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0075 0.0592
Trypanosoma brucei elongation of very long chain fatty acids protein, putative 0.0418 0.0664 0.2563
Loa Loa (eye worm) hypothetical protein 0.0022 0.0025 0.0025
Leishmania major fatty acid elongase, putative 0.0401 0.0636 0.2456
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.0057 0.0221
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0025 0.0164
Brugia malayi MH2 domain containing protein 0.0009 0.0004 0.0004
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0075 0.0075
Trypanosoma cruzi fatty acid elongase, putative 0.0418 0.0664 0.2563
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0095
Trypanosoma cruzi fatty acid elongase, putative 0.161 0.2589 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0025 0.0195
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0025 0.0095
Echinococcus granulosus elongation of very long chain fatty acids 0.0401 0.0636 0.4999
Schistosoma mansoni smad1 5 8 and 0.0009 0.0004 0.0031
Toxoplasma gondii fatty acid elongase 0.0418 0.0664 0.2563
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0004 0.0034
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.0057 0.1114
Plasmodium vivax elongation of very long chain fatty acids protein 3, putative 0.0401 0.0636 0.2456
Toxoplasma gondii GNS1/SUR4 family protein 0.161 0.2589 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0045 0.0358
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0045 0.0175
Trypanosoma cruzi fatty acid elongase, putative 0.161 0.2589 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.024 0.0376 0.0376
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0057 0.1114
Schistosoma mansoni smad1 5 8 and 0.0009 0.0004 0.0031
Entamoeba histolytica hypothetical protein 0.0042 0.0057 0.9853
Trypanosoma cruzi fatty acid elongase, putative 0.161 0.2589 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0004 0.0003
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0014 0.0052
Trypanosoma brucei unspecified product 0.0022 0.0025 0.0095
Trypanosoma cruzi fatty acid elongase, putative 0.0401 0.0636 0.2456
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0095
Leishmania major fatty acid elongase, putative 0.0401 0.0636 0.2456
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0025 0.0095
Onchocerca volvulus 0.0273 0.0429 0.6513
Trichomonas vaginalis set domain proteins, putative 0.0273 0.0429 0.852
Schistosoma mansoni inositol monophosphatase 0.0042 0.0057 0.045
Echinococcus multilocularis microtubule associated protein 2 0.0792 0.1268 1
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0025 0.0095
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0025 0.0095
Leishmania major fatty acid elongase, putative 0.0401 0.0636 0.2456
Schistosoma mansoni cpg binding protein 0.0033 0.0043 0.0339
Loa Loa (eye worm) inositol-1 0.0042 0.0057 0.0057
Trypanosoma brucei Long chain fatty acyl elongase 0.0418 0.0664 0.2563
Schistosoma mansoni inositol monophosphatase 0.0042 0.0057 0.045
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0075 0.0562
Leishmania major fatty acid elongase, putative 0.0401 0.0636 0.2456
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0042 0.0057 1
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0025 0.0164
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0095
Plasmodium vivax long chain polyunsaturated fatty acid elongation enzyme, putative 0.0418 0.0664 0.2563
Onchocerca volvulus 0.0401 0.0636 1
Brugia malayi Pre-SET motif family protein 0.0035 0.0045 0.0045
Schistosoma mansoni elongation of fatty acids protein 1 0.0418 0.0664 0.5235
Echinococcus multilocularis dnaJ subfamily B 0.0477 0.0759 0.5972
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0025 0.0095
Onchocerca volvulus 0.0401 0.0636 1
Echinococcus multilocularis elongation of very long chain fatty acids 0.0401 0.0636 0.4999
Schistosoma mansoni smad 0.0009 0.0004 0.0031
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0095
Brugia malayi Fatty acid elongation protein 3 0.161 0.2589 0.2589
Brugia malayi Hypothetical 34.1 kDa protein C40H1.4 in chromosome III 0.0401 0.0636 0.0636
Entamoeba histolytica hypothetical protein 0.0042 0.0057 0.9853
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0401 0.0636 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0038 0.005 0.5
Trypanosoma brucei unspecified product 0.0015 0.0014 0.0052
Schistosoma mansoni DNA polymerase eta 0.0022 0.0025 0.0195
Trypanosoma cruzi fatty acid elongase, putative 0.0401 0.0636 0.2456
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0072 0.0106 0.0833
Leishmania major fatty acid elongase, putative 0.161 0.2589 1
Loa Loa (eye worm) GNS1/SUR4 family protein 0.161 0.2589 0.2589

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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