Detailed information for compound 1698186

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.973 | Formula: C23H33ClN2O3
  • H donors: 1 H acceptors: 2 LogP: 4.44 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN(CCCC#C[C@@H]1CC[C@H](CC1)N(C(=O)Oc1ccc(cc1)Cl)C)CC
  • InChi: 1S/C23H33ClN2O3/c1-3-26(17-18-27)16-6-4-5-7-19-8-12-21(13-9-19)25(2)23(28)29-22-14-10-20(24)11-15-22/h10-11,14-15,19,21,27H,3-4,6,8-9,12-13,16-18H2,1-2H3/t19-,21-
  • InChiKey: UBLUCOHGNHINJX-XUTJKUGGSA-N  

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
Plasmodium falciparum JmjC domain-containing protein, putative 0.0474 0.0046 0.5
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.5339 0.3628 0.6089
Echinococcus multilocularis histone acetyltransferase MYST2 0.1564 0.0848 0.1424
Schistosoma mansoni sex comb on midleg homolog 0.4336 0.2889 0.2889
Trypanosoma cruzi Kinesin-13 5, putative 0.0411 0 0.5
Echinococcus multilocularis chromobox protein 2 0.3215 0.2065 0.3464
Echinococcus multilocularis histone acetyltransferase myst3 0.0665 0.0186 0.0313
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.1564 0.0848 0.1635
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0441 0.0022 0.0022
Schistosoma mansoni myelin transcription factor 1 myt1 0.1564 0.0848 0.0848
Onchocerca volvulus 0.4923 0.3322 0.6402
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0441 0.0022 0.0036
Echinococcus granulosus lysine specific demethylase 5A 0.1518 0.0815 0.1367
Trichomonas vaginalis cgi-62, putative 0.0411 0 0.5
Trypanosoma brucei SAM domain (Sterile alpha motif), putative 0.0411 0 0.5
Echinococcus granulosus polycomb protein SCMH1 0.4336 0.2889 0.4848
Echinococcus granulosus histone acetyltransferase MYST2 0.1564 0.0848 0.1424
Brugia malayi jmjC domain containing protein 0.0415 0.0002 0.0005
Echinococcus granulosus SAM and MBT domain containing protein 0.6279 0.432 0.725
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.1862 0.1068 0.1792
Loa Loa (eye worm) hypothetical protein 0.1564 0.0848 0.1635
Brugia malayi mbt repeat family protein 0.4512 0.3019 0.5818
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0415 0.0002 0.0004
Echinococcus multilocularis polycomb protein SCMH1 0.4336 0.2889 0.4848
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.5339 0.3628 0.6089
Loa Loa (eye worm) mbt repeat family protein 0.4512 0.3019 0.5818
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0415 0.0002 0.0004
Schistosoma mansoni sex comb on midleg homolog 0.4336 0.2889 0.2889
Trichomonas vaginalis c2h2 zinc finger protein, putative 0.0411 0 0.5
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.1564 0.0848 0.1424
Echinococcus granulosus histone acetyltransferase myst3 0.0665 0.0186 0.0313
Trypanosoma cruzi Kinesin-13 5, putative 0.0411 0 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.8505 0.5959 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.6279 0.432 0.725
Trypanosoma cruzi hypothetical protein 0.0411 0 0.5
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.7459 0.5189 1
Trichomonas vaginalis conserved hypothetical protein 0.0411 0 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.6279 0.432 0.432
Giardia lamblia Kinesin-13 0.0411 0 0.5
Giardia lamblia Giardia trophozoite antigen GTA-1 0.0411 0 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.8505 0.5959 1
Toxoplasma gondii PLU-1 family protein 0.0717 0.0225 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.1564 0.0848 0.1424
Schistosoma mansoni jumonji/arid domain-containing protein 0.1518 0.0815 0.0815
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.1862 0.1068 0.1792
Schistosoma mansoni jumonji domain containing protein 0.0415 0.0002 0.0002
Schistosoma mansoni phd finger protein 0.0665 0.0186 0.0186
Loa Loa (eye worm) hypothetical protein 0.7459 0.5189 1
Brugia malayi jmjC domain containing protein 0.2235 0.1343 0.2588
Schistosoma mansoni chromobox protein 0.3215 0.2065 0.2065
Plasmodium vivax JmjC domain containing protein 0.0474 0.0046 1
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0528 0.0086 0.3694
Loa Loa (eye worm) MBCTL1 0.1564 0.0848 0.1635
Loa Loa (eye worm) CHromoDomain protein family member 0.0441 0.0022 0.0042
Brugia malayi mbt repeat family protein 0.7459 0.5189 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.1518 0.0815 0.0815
Schistosoma mansoni hypothetical protein 0.5339 0.3628 0.3628
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0441 0.0022 0.0036
Loa Loa (eye worm) jmjC domain-containing protein 0.2235 0.1343 0.2588
Echinococcus granulosus chromobox protein 2 0.3215 0.2065 0.3464
Echinococcus multilocularis lysine specific demethylase 5A 0.1265 0.0628 0.1055
Trypanosoma brucei Present in the outer mitochondrial membrane proteome 24 0.0411 0 0.5
Brugia malayi CHD4 protein 0.0441 0.0022 0.0042

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.
 
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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