Detailed information for compound 1178405

Basic information

Technical information
  • TDR Targets ID: 1178405
  • Name: 1-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl indazol-3-yl]-3-(4-methylphenyl)urea
  • MW: 483.519 | Formula: C27H25N5O4
  • H donors: 2 H acceptors: 3 LogP: 4.57 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(ccnc2cc1OC)Oc1ccc2c(c1)n(C)nc2NC(=O)Nc1ccc(cc1)C
  • InChi: 1S/C27H25N5O4/c1-16-5-7-17(8-6-16)29-27(33)30-26-19-10-9-18(13-22(19)32(2)31-26)36-23-11-12-28-21-15-25(35-4)24(34-3)14-20(21)23/h5-15H,1-4H3,(H2,29,30,31,33)
  • InChiKey: ILJAQTWNHCZSRL-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[6-[(6,7-dimethoxy-4-quinolyl)oxy]-1-methyl-indazol-3-yl]-3-(4-methylphenyl)urea
  • 1-[6-[(6,7-dimethoxy-4-quinolyl)oxy]-1-methyl-3-indazolyl]-3-(4-methylphenyl)urea
  • 1-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-indazol-3-yl]-3-(4-methylphenyl)urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320

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 0.0014 0.009 0.0107
Trypanosoma cruzi ISWI complex protein 0.0017 0.0217 0.0679
Loa Loa (eye worm) hypothetical protein 0.0079 0.2742 0.3431
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0995 0.2653
Echinococcus multilocularis peregrin 0.0032 0.0846 0.2257
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0297 0.0546
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0045 0.1352 1
Echinococcus multilocularis lamin dm0 0.003 0.0748 0.1996
Brugia malayi PHD-finger family protein 0.0028 0.0655 0.0814
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0049 0.151 0.4029
Brugia malayi Bromodomain containing protein 0.0083 0.2937 0.3675
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.1352 0.1688
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0134 0.0134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0882 0.0953
Onchocerca volvulus 0.0235 0.9151 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0748 0.0932
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0748 0.0932
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0882 0.0953
Echinococcus multilocularis roundabout 2 0.0018 0.0247 0.0659
Giardia lamblia GTOR 0.0045 0.1352 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0977 0.1056
Brugia malayi Bromodomain containing protein 0.0032 0.0846 0.1054
Loa Loa (eye worm) hypothetical protein 0.003 0.0738 0.0919
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.046 0.057
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0045 0.1352 0.3605
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.0882 0.3487
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0325 0.0401
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.1084 0.1174
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0297 0.0546
Echinococcus granulosus histone lysine methyltransferase setb 0.0049 0.151 0.4029
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.1157 0.3085
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.116 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.116 0.1257
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0015 0.0134 0.0101
Plasmodium vivax hypothetical protein, conserved 0.004 0.116 1
Loa Loa (eye worm) hypothetical protein 0.004 0.116 0.1448
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0733 0.1956
Brugia malayi PHD-finger family protein 0.003 0.0738 0.0919
Schistosoma mansoni hypothetical protein 0.003 0.0738 0.1756
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0178 0.0217
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0748 0.0807
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0882 0.0953
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0509 0.0545
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0882 0.0953
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.151 0.387
Echinococcus granulosus lamin dm0 0.003 0.0748 0.1996
Loa Loa (eye worm) intermediate filament protein 0.003 0.0748 0.0932
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0738 0.0919
Echinococcus multilocularis lamin 0.003 0.0748 0.1996
Loa Loa (eye worm) beta-lactamase 0.004 0.116 0.1448
Onchocerca volvulus 0.003 0.0748 0.0018
Onchocerca volvulus 0.004 0.116 0.0507
Loa Loa (eye worm) hypothetical protein 0.004 0.116 0.1448
Brugia malayi beta-lactamase family protein 0.004 0.116 0.1448
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.116 0.8427
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0113 0.03
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0134 0.0134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.1352 0.1467
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0614 0.066
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0748 0.0932
Echinococcus granulosus neuropeptide receptor 0.0103 0.3749 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0045 0.1352 0.3435
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.6995 0.8763
Brugia malayi jmjC domain containing protein 0.0097 0.3511 0.4395
Loa Loa (eye worm) hypothetical protein 0.0045 0.1376 0.1718
Loa Loa (eye worm) phosphatidylinositol 3 0.0015 0.0134 0.0162
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0036 0.0978 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0507 0.0543
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.116 0.1257
Echinococcus multilocularis zinc finger protein 0.0022 0.0412 0.1098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0709 0.0763
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0509 0.0545
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0738 0.1969
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.7982 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.1157 0.3085
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.116 0.1257
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0977 0.1056
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.116 0.2911
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0386 0.207
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0547 0.1458
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0509 0.0545
Echinococcus granulosus zinc finger protein 0.0022 0.0412 0.1098
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.3511 0.9365
Loa Loa (eye worm) hypothetical protein 0.0018 0.0247 0.0304
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.1352 0.1467
Echinococcus granulosus intermediate filament protein 0.003 0.0748 0.1996
Schistosoma mansoni zinc finger protein 0.0017 0.0217 0.0327
Mycobacterium ulcerans hypothetical protein 0.004 0.116 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0183 0.6995 0.8763
Toxoplasma gondii ABC1 family protein 0.004 0.116 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0015 0.0134 0.0162
Echinococcus granulosus jumonji domain containing protein 0.0041 0.1215 0.3242
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0113 0.03
Brugia malayi Bromodomain containing protein 0.0043 0.1265 0.1579
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0733 0.1742
Echinococcus multilocularis neuropeptide receptor 0.0103 0.3749 1
Echinococcus granulosus roundabout 2 0.0018 0.0247 0.0659
Mycobacterium leprae conserved hypothetical protein 0.004 0.116 0.5
Schistosoma mansoni hypothetical protein 0.0017 0.0217 0.0327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0614 0.066
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0977 0.1056
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.4959 0.621
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.151 0.387
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0614 0.066
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.224 0.5974
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0178 0.0217
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.2036 0.2546
Loa Loa (eye worm) hypothetical protein 0.0047 0.1463 0.1827
Leishmania major hypothetical protein, conserved 0.0017 0.0217 0.0679
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0603 0.0648
Schistosoma mansoni lamin 0.003 0.0748 0.1783
Trypanosoma brucei ISWI complex protein 0.0017 0.0217 0.0679
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0507 0.0543
Mycobacterium ulcerans beta-lactamase 0.004 0.116 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0882 0.0953
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.1082 0.135
Loa Loa (eye worm) hypothetical protein 0.004 0.116 0.1448
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0507 0.0543
Mycobacterium ulcerans lipase LipD 0.004 0.116 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0882 0.0953
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0547 0.1231
Plasmodium vivax hypothetical protein, conserved 0.003 0.0738 0.0113
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0738 0.0113
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0977 0.1056
Brugia malayi F/Y-rich N-terminus family protein 0.0013 0.005 0.0056
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.116 0.1448
Schistosoma mansoni zinc finger protein 0.0022 0.0412 0.0861
Onchocerca volvulus Alhambra homolog 0.003 0.0738 0.0006
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0036 0.0978 0.6934
Echinococcus multilocularis neuroglian 0.0014 0.0097 0.0259
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.1215 0.3242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0134 0.0134
Schistosoma mansoni hypothetical protein 0.0023 0.046 0.0993
Trichomonas vaginalis esterase, putative 0.004 0.116 0.1257
Echinococcus granulosus lamin 0.003 0.0748 0.1996
Trypanosoma cruzi target of rapamycin kinase 3 0.0036 0.0978 0.6934
Onchocerca volvulus 0.004 0.116 0.0507
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.1082 0.2885
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0045 0.1352 0.3605
Onchocerca volvulus 0.003 0.0748 0.0018
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0045 0.1352 1
Schistosoma mansoni intermediate filament proteins 0.003 0.0748 0.1783
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.116 0.8427
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0045 0.1352 1
Brugia malayi Pre-SET motif family protein 0.0207 0.7982 1
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.4959 0.621
Echinococcus granulosus twitchin 0.0014 0.0097 0.0259
Trypanosoma brucei hypothetical protein, conserved 0.004 0.116 0.8427
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.1082 0.2696
Loa Loa (eye worm) hypothetical protein 0.004 0.116 0.1448
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0045 0.1352 1
Brugia malayi beta-lactamase family protein 0.004 0.116 0.1448
Leishmania major hypothetical protein, conserved 0.004 0.116 0.8427
Brugia malayi jmjC domain containing protein 0.0038 0.1082 0.135
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.1352 0.1688
Loa Loa (eye worm) hypothetical protein 0.004 0.116 0.1448
Trypanosoma cruzi ISWI complex protein 0.0017 0.0217 0.0679
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0738 0.1969
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0281 0.1204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0134 0.0134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.1352 0.1467
Onchocerca volvulus 0.0167 0.6343 0.6664
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.116 0.2911
Loa Loa (eye worm) hypothetical protein 0.0049 0.151 0.1887
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0689 0.1837
Echinococcus multilocularis musashi 0.003 0.0748 0.1996
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0738 0.1756
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0882 0.0953
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0045 0.1352 0.5
Echinococcus granulosus neuroglian 0.0014 0.0097 0.0259
Loa Loa (eye worm) hypothetical protein 0.0015 0.013 0.0156
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0135
Loa Loa (eye worm) hypothetical protein 0.0043 0.1268 0.1583
Brugia malayi intermediate filament protein 0.003 0.0748 0.0932
Loa Loa (eye worm) hypothetical protein 0.0051 0.1609 0.2011
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.224 0.5974
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0547 0.1458
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0297 0.0791
Brugia malayi MH2 domain containing protein 0.0133 0.4959 0.621
Mycobacterium leprae Probable lipase LipE 0.004 0.116 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.116 0.1448
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0045 0.1352 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.009 0.0107
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.116 0.1448
Brugia malayi Pre-SET motif family protein 0.003 0.0733 0.0913
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0134 0.0134
Echinococcus multilocularis G protein coupled receptor 139 0.0103 0.3749 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0726 0.0904
Echinococcus granulosus peregrin 0.0032 0.0846 0.2257
Onchocerca volvulus 0.004 0.116 0.0507
Schistosoma mansoni bromodomain containing protein 0.007 0.2403 0.6314
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0977 0.1056
Schistosoma mansoni lamin 0.003 0.0748 0.1783
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.116 0.5
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0045 0.1352 1
Schistosoma mansoni cell adhesion molecule 0.0015 0.013 0.0089
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0603 0.0648
Trichomonas vaginalis set domain proteins, putative 0.0235 0.9151 1
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.116 0.3094
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0015 0.0134 0.0357
Onchocerca volvulus Tyrosine kinase homolog 0.0171 0.6502 0.6853
Schistosoma mansoni jumonji domain containing protein 0.0077 0.269 0.7101
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.116 0.1257
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.116 0.3094
Brugia malayi beta-lactamase 0.004 0.116 0.1448
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0015 0.0134 0.0357
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.3511 0.9365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0509 0.0545
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0297 0.0791
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.1082 0.2696
Schistosoma mansoni neuropeptide receptor 0.0103 0.3749 1
Plasmodium falciparum phd finger protein, putative 0.003 0.0738 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0733 0.1742
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.116 0.1257
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0045 0.1352 0.5
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.013 0.0346
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0738 0.0113
Loa Loa (eye worm) hypothetical protein 0.0018 0.0247 0.0304

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.002 uM Inhibition of recombinant KDR by HTRF assay ChEMBL. 18682324
IC50 (functional) = 0.003 uM Inhibition of VEGF-stimulated HUVEC cell proliferation treated before 2 hrs of VEGF challenge assessed after 72 hrs ChEMBL. 18682324
IC50 (functional) > 1 uM Inhibition of bFGF-stimulated HUVEC cell proliferation treated before 2 hrs of bFGF challenge assessed after 72 hrs ChEMBL. 18682324

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18682324

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

1 literature reference was collected for this gene.

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