Detailed information for compound 1518594

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 375.846 | Formula: C20H22ClNO4
  • H donors: 0 H acceptors: 0 LogP: 3.5 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO[C@H]1c2cc(OC)ccc2c2c3[C@@H]1N(C)CCc3cc1c2OCO1.Cl
  • InChi: 1S/C20H21NO4.ClH/c1-21-7-6-11-8-15-20(25-10-24-15)17-13-5-4-12(22-2)9-14(13)19(23-3)18(21)16(11)17;/h4-5,8-9,18-19H,6-7,10H2,1-3H3;1H/t18-,19-;/m0./s1
  • InChiKey: XCRFUDLMWTVMSG-HLRBRJAUSA-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 vivax DNA gyrase subunit B, putative 0.005 0.0204 0.0626
Brugia malayi acetyltransferase, GNAT family protein 0.0148 0.1666 0.1785
Trypanosoma cruzi DNA topoisomerase II, putative 0.0137 0.1512 0.5227
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0137 0.1512 0.5227
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0153 0.1749 0.4463
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Trichomonas vaginalis DNA topoisomerase II, putative 0.0153 0.1743 0.43
Brugia malayi nuclear hormone receptor 0.0658 0.933 1
Brugia malayi Probable DNA topoisomerase II 0.0153 0.1743 0.1868
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0145 0.1633 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Loa Loa (eye worm) TOPoisomerase family member 0.0153 0.1743 0.1443
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.005 0.0204 0.0624
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0153 0.1743 0.1868
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0145 0.1633 0.5
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0153 0.1749 1
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0153 0.1749 0.1874
Toxoplasma gondii DNA topoisomerase 2, putative 0.0153 0.1743 0.9965
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0658 0.933 1
Chlamydia trachomatis DNA gyrase subunit B 0.0083 0.0694 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0148 0.1666 0.1666
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0145 0.1633 0.925
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.3918 1
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0047 0.0121
Loa Loa (eye worm) hypothetical protein 0.0102 0.0988 0.0592
Giardia lamblia DNA topoisomerase II 0.0146 0.1642 0.4118
Giardia lamblia Fructose-bisphosphate aldolase 0.0298 0.3918 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0153 0.1749 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0153 0.1743 0.1743
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0153 0.1749 0.4315
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0153 0.1749 1
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0153 0.1743 0.1868
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Schistosoma mansoni DNA topoisomerase II 0.0153 0.1743 0.1743
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0137 0.1512 0.5227
Trypanosoma cruzi DNA topoisomerase II, putative 0.0137 0.1512 0.5227
Plasmodium falciparum DNA topoisomerase 2 0.0153 0.1743 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0102 0.0102
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0153 0.1749 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0153 0.1749 0.4315
Mycobacterium ulcerans hypothetical protein 0.0153 0.1749 1
Treponema pallidum fructose-bisphosphate aldolase 0.0298 0.3918 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.1604 0.1604
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0153 0.1749 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0153 0.1749 0.4315
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.005 0.0204 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0703 1 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.1749 0.1449
Leishmania major DNA topoisomerase ii 0.0137 0.1512 0.5227
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0674 0.9573 1
Schistosoma mansoni microtubule-associated protein tau 0.0703 1 1
Loa Loa (eye worm) hypothetical protein 0.0644 0.9113 0.9755
Entamoeba histolytica DNA topoisomerase II, putative 0.0153 0.1743 0.4448
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0148 0.1666 0.1666
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0153 0.1743 0.1743
Loa Loa (eye worm) hypothetical protein 0.0102 0.0988 0.0592
Plasmodium falciparum DNA gyrase subunit B 0.005 0.0204 0.0927
Loa Loa (eye worm) acetyltransferase 0.0148 0.1666 0.1356
Plasmodium vivax DNA topoisomerase II, putative 0.0153 0.1743 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.3918 1

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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