Detailed information for compound 1730671

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 367.438 | Formula: C22H25NO4
  • H donors: 1 H acceptors: 2 LogP: 4.08 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(NC(=O)/C=C/C(=O)c2c(C)c(C)cc(c2C)C)cc(c1)OC
  • InChi: 1S/C22H25NO4/c1-13-9-14(2)16(4)22(15(13)3)20(24)7-8-21(25)23-17-10-18(26-5)12-19(11-17)27-6/h7-12H,1-6H3,(H,23,25)/b8-7+
  • InChiKey: NJUKWYTZNVYXNL-BQYQJAHWSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0098 0.33 0.33
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0021 0.0114 0.1156
Echinococcus granulosus growth factor receptor bound protein 2 0.0022 0.015 0.015
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0113 0.3884 0.3884
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0021 0.0114 0.0352
Loa Loa (eye worm) SRC-1 0.0113 0.3884 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Brugia malayi Sex muscle abnormal protein 5 0.0022 0.015 0.0358
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0113 0.3884 0.3884
Brugia malayi Variant SH3 domain containing protein 0.0022 0.015 0.0358
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0021 0.0114 0.0352
Schistosoma mansoni growth factor receptor-bound protein 0.0022 0.015 0.0358
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Echinococcus multilocularis tyrosine protein kinase Srms 0.0102 0.3431 0.3431
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0022 0.015 0.0386
Leishmania major phosphatidylinositol 3-kinase, putative 0.0021 0.0114 0.0352
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0113 0.3884 0.3884
Echinococcus granulosus tyrosine kinase 0.0102 0.3431 0.3431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0021 0.0114 0.0114
Entamoeba histolytica hypothetical protein 0.0096 0.3202 0.7652
Brugia malayi protein-tyrosine kinase 0.0102 0.3431 0.8199
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0042 0.0983 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.2489 0.6408
Entamoeba histolytica protein kinase, putative 0.009 0.2965 0.7087
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0021 0.0114 0.0114
Echinococcus granulosus tyrosine protein kinase Fyn 0.0113 0.3884 0.3884
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0025 0.028 0.028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Trypanosoma cruzi target of rapamycin kinase 3 0.0021 0.0114 0.0272
Loa Loa (eye worm) hypothetical protein 0.0041 0.0926 0.2383
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.012 0.4184 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0083 0.2678 0.6399
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0083 0.2678 0.6399
Schistosoma mansoni nck2/grb4 0.0022 0.015 0.0358
Echinococcus granulosus tyrosine protein kinase Fyn 0.0113 0.3884 0.3884
Schistosoma mansoni tyrosine kinase 0.0025 0.028 0.067
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.012 0.4184 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0042 0.0983 0.2348
Loa Loa (eye worm) hypothetical protein 0.0022 0.015 0.0386
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0079 0.2489 0.2489
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.0114 0.0293
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0021 0.0114 0.0272
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.0114 0.0272
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0036 0.0698 0.1668
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0102 0.3431 0.3431
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0021 0.0114 0.0114
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0042 0.0983 0.2348
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0102 0.3431 0.3431
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0042 0.0983 0.2348
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.012 0.4184 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0079 0.2489 0.5949
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.012 0.4184 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0025 0.028 0.028
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0113 0.3884 0.3884
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Echinococcus multilocularis tyrosine protein kinase HCK 0.009 0.2965 0.2965
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0021 0.0114 0.0272
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0021 0.0114 0.0352
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0079 0.2489 0.2489
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.012 0.4184 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Brugia malayi SRC-1 0.0113 0.3884 0.9283
Echinococcus granulosus c src tyrosine kinase 0.0025 0.028 0.028
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0055 0.1507 0.3601
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0096 0.3202 0.7652
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0021 0.0114 0.0272
Schistosoma mansoni tyrosine kinase 0.0113 0.3884 0.9283
Brugia malayi Variant SH3 domain containing protein 0.0022 0.015 0.0358
Echinococcus multilocularis c src tyrosine kinase 0.0025 0.028 0.028
Brugia malayi Tyrosine-protein kinase abl-1 0.0025 0.028 0.067
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0021 0.0114 0.1156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.012 0.4184 0.4184
Echinococcus granulosus tyrosine protein kinase Src42A 0.0098 0.33 0.33
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.0114 0.0293
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0113 0.3899 0.9319
Echinococcus multilocularis growth factor receptor bound protein 2 0.0022 0.015 0.015
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0113 0.3884 0.3884
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0021 0.0114 0.0272
Schistosoma mansoni tyrosine kinase 0.0025 0.028 0.067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0021 0.0114 0.1156
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0021 0.0114 0.0272
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.012 0.4184 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0096 0.3202 0.8242
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0113 0.3884 0.3884
Leishmania major hypothetical protein, conserved 0.0097 0.3232 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.0114 0.0272
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0042 0.0983 0.2348
Schistosoma mansoni growth factor receptor-bound protein 0.0022 0.015 0.0358
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.006 0.1695 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0025 0.028 0.067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.012 0.4184 0.4184
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0021 0.0114 0.0272
Trypanosoma cruzi hypothetical protein, conserved 0.009 0.2948 0.7045
Loa Loa (eye worm) phosphatidylinositol 3 0.0036 0.0698 0.1796
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0042 0.0983 0.2348
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0022 0.015 0.0358
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0021 0.0114 0.1156
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0021 0.0114 0.0272
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0042 0.0983 0.2348
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0113 0.3884 0.3884
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0113 0.3884 0.3884
Schistosoma mansoni adapter molecule crk 0.0022 0.015 0.0358
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0021 0.0114 0.0114
Echinococcus granulosus tyrosine protein kinase HCK 0.009 0.2965 0.2965
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Echinococcus granulosus tyrosine protein kinase Src42A 0.0113 0.3884 0.3884
Loa Loa (eye worm) TK protein kinase 0.009 0.2965 0.7634
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0113 0.3884 0.3884
Echinococcus granulosus tyrosine protein kinase Blk 0.0102 0.3431 0.3431
Echinococcus granulosus tyrosine protein kinase Fyn 0.0113 0.3884 0.3884
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0042 0.0983 0.2348
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0113 0.3884 0.3884
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0113 0.3884 0.3884
Toxoplasma gondii target of rapamycin (TOR), putative 0.0021 0.0114 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0021 0.0114 0.1156
Echinococcus multilocularis tyrosine protein kinase Abl 0.0025 0.028 0.028
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0021 0.0114 0.0272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.0114 0.0272
Echinococcus granulosus tyrosine protein kinase Src64B 0.0113 0.3884 0.3884
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.012 0.4184 1
Echinococcus multilocularis NCK adaptor protein 0.0022 0.015 0.015
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0042 0.0983 0.2348
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.012 0.4184 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0031 0.0498 0.2433
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0021 0.0114 0.0352
Schistosoma mansoni tyrosine kinase 0.0113 0.3884 0.9283
Echinococcus granulosus NCK adaptor protein 0.0022 0.015 0.015
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0022 0.015 0.0386
Loa Loa (eye worm) TK protein kinase 0.0102 0.3431 0.8832
Echinococcus multilocularis tyrosine protein kinase Blk 0.0102 0.3431 0.3431
Echinococcus granulosus tyrosine protein kinase Lyn 0.0113 0.3884 0.3884

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.55 uM Antiproliferative activity against human K562 cells assessed as inhibition of cell survival after 72 hrs by MTT assay ChEMBL. 23353745

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23353745

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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