Detailed information for compound 1837128

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.508 | Formula: C24H30N2O
  • H donors: 0 H acceptors: 1 LogP: 5.44 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)c2c(c1)n(CCCCN1CCCCC1)c1c(c2=O)cccc1
  • InChi: 1S/C24H30N2O/c1-18-16-19(2)23-22(17-18)26(21-11-5-4-10-20(21)24(23)27)15-9-8-14-25-12-6-3-7-13-25/h4-5,10-11,16-17H,3,6-9,12-15H2,1-2H3
  • InChiKey: UJBZACHBQDYHGY-UHFFFAOYSA-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
Schistosoma mansoni jumonji domain containing protein 0.0066 0.1633 0.2805
Schistosoma mansoni tar DNA-binding protein 0.0127 0.3483 0.6303
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.002 0.0231 0.0231
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0683 0.1011
Echinococcus multilocularis serine protein kinase ATM 0.0028 0.0464 0.0595
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Loa Loa (eye worm) RNA binding protein 0.0127 0.3483 0.5985
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.002 0.0231 0.0146
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Schistosoma mansoni tar DNA-binding protein 0.0127 0.3483 0.6303
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.002 0.0231 0.0084
Mycobacterium tuberculosis Conserved hypothetical protein 0.018 0.5082 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0256 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0344 0.0591
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.107 0.0935
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0256 0.5
Echinococcus multilocularis geminin 0.0191 0.5439 1
Echinococcus multilocularis tar DNA binding protein 0.0127 0.3483 0.6303
Echinococcus granulosus serine protein kinase ATM 0.0028 0.0464 0.0595
Schistosoma mansoni hypothetical protein 0.0035 0.0683 0.1011
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0028 0.0464 0.0464
Loa Loa (eye worm) hypothetical protein 0.0204 0.582 1
Loa Loa (eye worm) phosphatidylinositol 3 0.002 0.0231 0.0397
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.3483 0.588
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Loa Loa (eye worm) hypothetical protein 0.0018 0.0149 0.0255
Schistosoma mansoni ap endonuclease 0.0021 0.0256 0.0203
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0683 0.1011
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0018 0.0149 0.1156
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Schistosoma mansoni ap endonuclease 0.0021 0.0256 0.0203
Brugia malayi TAR-binding protein 0.0127 0.3483 0.588
Loa Loa (eye worm) hypothetical protein 0.0018 0.0149 0.0255
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0018 0.0149 0.0149
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Toxoplasma gondii exonuclease III APE 0.0021 0.0256 0.1993
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.002 0.0231 0.0231
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0256 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Leishmania major phosphatidylinositol 3-kinase, putative 0.002 0.0231 0.0084
Loa Loa (eye worm) phosphatidylinositol 3 0.002 0.0231 0.0397
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0066 0.1633 0.2805
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.107 0.0935
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0149 0.0255
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0256 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0028 0.0464 0.0595
Toxoplasma gondii FATC domain-containing protein 0.0028 0.0464 0.3608
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0256 1
Entamoeba histolytica hypothetical protein 0.0035 0.0683 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0256 0.044
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.002 0.0231 0.0156
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0256 0.5523
Entamoeba histolytica hypothetical protein 0.0035 0.0683 1
Brugia malayi hypothetical protein 0.0035 0.0683 0.0943
Echinococcus granulosus geminin 0.0191 0.5439 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0161 0.4527 0.4527
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Entamoeba histolytica hypothetical protein 0.0035 0.0683 1
Mycobacterium ulcerans hypothetical protein 0.018 0.5082 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Echinococcus multilocularis lysine specific demethylase 5A 0.0066 0.1633 0.2805
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0149 0.0255
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0256 0.0109
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0161 0.4527 0.4444
Loa Loa (eye worm) jmjC domain-containing protein 0.0066 0.1633 0.2805
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Entamoeba histolytica hypothetical protein 0.0035 0.0683 1
Brugia malayi RNA binding protein 0.0127 0.3483 0.588
Schistosoma mansoni hypothetical protein 0.0191 0.5439 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.139 0.126
Trypanosoma cruzi target of rapamycin kinase 3 0.002 0.0231 0.0084
Schistosoma mansoni jumonji/arid domain-containing protein 0.0066 0.1633 0.2805
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0018 0.0149 0.1156
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.002 0.0231 0.0156
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0028 0.0464 0.032
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0256 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.3483 0.5985
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.107 0.0935
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0256 0.5523
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.002 0.0231 0.0156
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0204 0.582 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0256 0.0109
Entamoeba histolytica hypothetical protein 0.0028 0.0464 0.5141
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.002 0.0231 0.0146
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0256 0.0109
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.002 0.0231 0.0084
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0161 0.4527 0.4444
Echinococcus granulosus lysine specific demethylase 5A 0.0066 0.1633 0.2805
Schistosoma mansoni tar DNA-binding protein 0.0127 0.3483 0.6303
Schistosoma mansoni tar DNA-binding protein 0.0127 0.3483 0.6303
Loa Loa (eye worm) hypothetical protein 0.0018 0.0149 0.0255
Schistosoma mansoni hypothetical protein 0.0191 0.5439 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0256 0.0189
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0028 0.0464 0.0555
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0464 1
Loa Loa (eye worm) TAR-binding protein 0.0127 0.3483 0.5985
Leishmania major phosphatidylinositol kinase related protein, putative 0.002 0.0232 0.0085
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.002 0.0231 0.0084
Schistosoma mansoni jumonji/arid domain-containing protein 0.0066 0.1633 0.2805
Echinococcus granulosus tar DNA binding protein 0.0127 0.3483 0.6303
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.002 0.0232 0.0085
Trypanosoma brucei target of rapamycin kinase 3, putative 0.002 0.0231 0.0231
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.107 0.107
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.002 0.0231 0.0156
Brugia malayi jmjC domain containing protein 0.0066 0.1633 0.2616
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0149 0.0255
Leishmania major phosphatidylinositol 3-related kinase, putative 0.002 0.0231 0.0084
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.002 0.0231 0.0084
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0683 0.1011
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.002 0.0231 0.0231
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.002 0.0231 0.0156
Schistosoma mansoni tar DNA-binding protein 0.0127 0.3483 0.6303
Toxoplasma gondii hypothetical protein 0.0055 0.1285 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.002 0.0231 0.0231
Brugia malayi N-terminal motif family protein 0.0204 0.582 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.002 0.0231 0.0156
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0066 0.1633 0.2805
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0256 0.0203
Brugia malayi jmjC domain containing protein 0.0066 0.1633 0.2616
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.002 0.0231 0.0084
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.002 0.0231 0.0084
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.002 0.0231 0.0084
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0256 0.0549
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0256 0.0256
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.0344 0.0198
Toxoplasma gondii target of rapamycin (TOR), putative 0.002 0.0231 0.1799
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0231 0.4987

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.41 uM Cytotoxicity against Homo sapiens (human) HL60 cells after 48 hr by trypan blue assay 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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