Detailed information for compound 372601

Basic information

Technical information
  • TDR Targets ID: 372601
  • Name: 6-[3-[(2-methylsulfonylethylamino)methyl]fura n-2-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4 -amine
  • MW: 528.622 | Formula: C29H28N4O4S
  • H donors: 2 H acceptors: 4 LogP: 4.35 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CS(=O)(=O)CCNCc1ccoc1c1ccc2c(c1)c(ncn2)Nc1ccc(cc1)OCc1ccccc1
  • InChi: 1S/C29H28N4O4S/c1-38(34,35)16-14-30-18-23-13-15-36-28(23)22-7-12-27-26(17-22)29(32-20-31-27)33-24-8-10-25(11-9-24)37-19-21-5-3-2-4-6-21/h2-13,15,17,20,30H,14,16,18-19H2,1H3,(H,31,32,33)
  • InChiKey: ZBBOYUJFPDIEDF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-benzyloxyphenyl)-6-[3-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinazolin-4-amine
  • N-(4-benzyloxyphenyl)-6-[3-[(2-methylsulfonylethylamino)methyl]-2-furyl]-4-quinazolinamine
  • [2-[4-(4-benzoxyanilino)quinazolin-6-yl]-3-furyl]methyl-(2-mesylethyl)amine
  • 6-[3-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[4-(phenylmethoxy)phenyl]quinazolin-4-amine
  • 6-[3-[(2-methylsulfonylethylamino)methyl]-2-furyl]-N-[4-(phenylmethoxy)phenyl]quinazolin-4-amine
  • 6-[3-[(2-methylsulfonylethylamino)methyl]-2-furyl]-N-[4-(phenylmethoxy)phenyl]-4-quinazolinamine
  • [2-[4-[[4-(benzyloxy)phenyl]amino]quinazolin-6-yl]-3-furyl]methyl-(2-mesylethyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens YES proto-oncogene 1, Src family tyrosine kinase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi protein-tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Lyn Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase Yrk, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FGR, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K08892 fyn-related kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Srms Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
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 0.0123 0.1287 0.2707
Plasmodium vivax plasmepsin IV, putative 0.0357 0.395 0.7158
Plasmodium falciparum plasmepsin IV 0.0357 0.395 0.7158
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0357 0.395 0.395
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.0336 0.085
Brugia malayi Eukaryotic aspartyl protease family protein 0.0123 0.1287 1
Trypanosoma cruzi serine/threonine protein phosphatase, putative 0.0041 0.0347 0.5
Toxoplasma gondii aspartyl protease ASP3 0.0483 0.538 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0045 0.0401 0.1015
Plasmodium falciparum plasmepsin X 0.0483 0.538 1
Toxoplasma gondii aspartyl protease ASP1 0.0357 0.395 0.7158
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0045 0.0401 0.1015
Schistosoma mansoni protein phosphatase-2b 0.0041 0.0347 0.0347
Brugia malayi aspartic protease BmAsp-2, identical 0.0123 0.1287 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.1287 0.1287
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0041 0.0347 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.1287 0.1287
Plasmodium vivax aspartyl protease, putative 0.0483 0.538 1
Echinococcus granulosus tyrosine protein kinase Blk 0.0041 0.035 0.0887
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.1287 0.1287
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0045 0.0401 0.1015
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0045 0.0401 0.1015
Echinococcus granulosus tyrosine protein kinase Lyn 0.0045 0.0401 0.1015
Plasmodium vivax plasmepsin V, putative 0.0123 0.1287 0.1868
Loa Loa (eye worm) hypothetical protein 0.004 0.034 0.0114
Echinococcus granulosus serine:threonine protein phosphatase 2B 0.0041 0.0347 0.0878
Plasmodium vivax aspartyl protease, putative 0.0123 0.1287 0.1868
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0041 0.0347 1
Brugia malayi Pepsin A precursor 0.0123 0.1287 1
Plasmodium vivax aspartyl protease, putative 0.0483 0.538 1
Entamoeba histolytica Ser/Thr protein phosphatase, putative 0.0041 0.0347 1
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0041 0.0347 1
Loa Loa (eye worm) hypothetical protein 0.0357 0.395 1
Echinococcus granulosus tyrosine protein kinase HCK 0.0036 0.0299 0.0756
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0123 0.1287 0.2707
Plasmodium falciparum plasmepsin I 0.0357 0.395 0.7158
Plasmodium vivax aspartyl proteinase, putative 0.0123 0.1287 0.1868
Brugia malayi Serine/threonine protein phosphatase 2B catalytic subunit 2 0.0041 0.0347 0.2694
Plasmodium falciparum plasmepsin III 0.0123 0.1287 0.1868
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0357 0.395 0.7158
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0041 0.035 0.0887
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0041 0.0347 1
Brugia malayi hypothetical protein 0.0123 0.1287 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0401 0.1015
Echinococcus granulosus tyrosine protein kinase Src42A 0.0045 0.0401 0.1015
Echinococcus multilocularis tyrosine protein kinase Blk 0.0041 0.035 0.0887
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.1287 0.1287
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0045 0.0401 0.1015
Trypanosoma cruzi serine/threonine protein phosphatase 2B catalytic subunit A2, putative 0.0041 0.0347 0.5
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0357 0.395 1
Schistosoma mansoni memapsin-2 (A01 family) 0.0123 0.1287 0.1287
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.0336 0.085
Trypanosoma brucei protein phosphatase 2B, putative 0.0041 0.0347 0.5
Plasmodium falciparum plasmepsin VI 0.0357 0.395 0.7158
Loa Loa (eye worm) SRC-1 0.0045 0.0401 0.028
Leishmania major serine/threonine protein phosphatase, putative 0.0041 0.0347 0.5
Plasmodium falciparum plasmepsin V 0.0123 0.1287 0.1868
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0045 0.0401 0.1015
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0045 0.0401 0.1015
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0401 0.1015
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0357 0.395 0.5
Schistosoma mansoni tyrosine kinase 0.0045 0.0401 0.0401
Trypanosoma cruzi serine/threonine protein phosphatase, putative 0.0041 0.0347 0.5
Plasmodium falciparum plasmepsin IX 0.0483 0.538 1
Loa Loa (eye worm) aspartyl protease 6 0.0123 0.1287 0.2707
Brugia malayi protein-tyrosine kinase 0.0041 0.035 0.2722
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.1287 0.1287
Brugia malayi aspartic protease BmAsp-1, identical 0.0123 0.1287 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.1287 0.2707
Echinococcus multilocularis serine:threonine protein phosphatase 2B 0.0041 0.0347 0.0878
Echinococcus granulosus tyrosine protein kinase Src64B 0.0045 0.0401 0.1015
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0401 0.1015
Plasmodium falciparum plasmepsin VIII, putative 0.0123 0.1287 0.1868
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0123 0.1287 0.1868
Schistosoma mansoni cathepsin D (A01 family) 0.0889 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0401 0.1015
Plasmodium falciparum plasmepsin II 0.0357 0.395 0.7158
Toxoplasma gondii aspartyl protease 0.0123 0.1287 0.1868
Schistosoma mansoni tyrosine kinase 0.0045 0.0401 0.0401
Onchocerca volvulus 0.0123 0.1287 0.5
Plasmodium falciparum plasmepsin VII 0.0123 0.1287 0.1868
Plasmodium vivax aspartyl proteinase, putative 0.0357 0.395 0.7158
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0401 0.1015
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0401 0.1015
Echinococcus multilocularis tyrosine protein kinase Srms 0.0041 0.035 0.0887
Loa Loa (eye worm) TK protein kinase 0.0041 0.035 0.0142
Echinococcus granulosus serine:threonine protein phosphatase 2B 0.0041 0.0347 0.0878
Brugia malayi hypothetical protein 0.0123 0.1287 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.035 0.0887
Onchocerca volvulus 0.0123 0.1287 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.1287 0.1287
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0045 0.0401 0.1015
Entamoeba histolytica Ser/Thr protein phosphatase, putative 0.0041 0.0347 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0357 0.395 1
Echinococcus granulosus tyrosine kinase 0.0041 0.035 0.0887
Schistosoma mansoni protein phosphatase-2b 0.0041 0.0347 0.0347
Echinococcus multilocularis tyrosine protein kinase HCK 0.0036 0.0299 0.0756
Loa Loa (eye worm) hypothetical protein 0.0041 0.0347 0.0132
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.1287 0.1287
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0357 0.395 1
Leishmania major serine/threonine protein phosphatase 2B catalytic subunit A2, putative 0.0041 0.0347 0.5
Echinococcus multilocularis serine:threonine protein phosphatase 2B 0.0041 0.0347 0.0878
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.1287 0.1287
Brugia malayi SRC-1 0.0045 0.0401 0.3114

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.7711 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 3.6751 uM PubChem BioAssay. qHTS for small molecule inhibitors of Yes1 kinase: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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