Detailed information for compound 1518322

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 403.942 | Formula: C23H30ClNO3
  • H donors: 0 H acceptors: 1 LogP: 5.23 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(c1ccccc1)(c1ccccc1)C(=O)OCCCN1CCCC1.Cl
  • InChi: 1S/C23H29NO3.ClH/c1-2-27-23(20-12-5-3-6-13-20,21-14-7-4-8-15-21)22(25)26-19-11-18-24-16-9-10-17-24;/h3-8,12-15H,2,9-11,16-19H2,1H3;1H
  • InChiKey: FCLUARGZJVBUGN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
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 hypothetical protein 0.002 0.0241 0.0319
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.1072 0.0409
Trichomonas vaginalis chromobox protein, putative 0.0068 0.2454 0.2008
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.2454 0.2616
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1504 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.2203 0.2975
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0054 0.181 0.1326
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0657 0.0773
Brugia malayi acetyltransferase, GNAT family protein 0.0177 0.7555 0.8578
Schistosoma mansoni bromodomain containing protein 0.0066 0.2365 0.313
Echinococcus granulosus chromobox protein 1 0.0068 0.2454 0.3326
Trichomonas vaginalis bromodomain-containing protein, putative 0.0054 0.181 0.1326
Brugia malayi Pre-SET motif family protein 0.0202 0.8702 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0607 0.0739
Echinococcus granulosus chromobox protein 1 0.0068 0.2454 0.3326
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0177 0.7555 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1072 0.0545
Loa Loa (eye worm) hypothetical protein 0.003 0.0691 0.0532
Loa Loa (eye worm) hypothetical protein 0.0037 0.1041 0.0946
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.2203 0.2841
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1206 0.0687
Trichomonas vaginalis chromobox protein, putative 0.0068 0.2454 0.2008
Brugia malayi Heterochromatin protein 1 0.0068 0.2454 0.2256
Echinococcus granulosus zinc finger protein 0.0023 0.0392 0.0439
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.1426 0.1888
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0657 0.0869
Trypanosoma cruzi ISWI complex protein 0.0015 0 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0079 0.0105
Brugia malayi Bromodomain containing protein 0.0077 0.2894 0.2801
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.8702 1
Leishmania major hypothetical protein, conserved 0.0015 0 0.5
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1206 0.0687
Loa Loa (eye worm) hypothetical protein 0.0046 0.1434 0.141
Schistosoma mansoni chromobox protein 0.0068 0.2454 0.3248
Loa Loa (eye worm) acetyltransferase 0.0177 0.7555 0.8644
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.1426 0.1802
Echinococcus multilocularis chromobox protein 1 0.0068 0.2454 0.3177
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0054 0.181 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0054 0.181 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0931 0.114
Schistosoma mansoni zinc finger protein 0.0023 0.0392 0.0519
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0327 0.0347
Echinococcus granulosus histone acetyltransferase KAT2B 0.0054 0.181 0.2424
Loa Loa (eye worm) hypothetical protein 0.0038 0.1072 0.0983
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.722 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1504 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1072 0.0545
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0327 0.0433
Trypanosoma brucei ISWI complex protein 0.0015 0 0.5
Echinococcus multilocularis zinc finger protein 0.0023 0.0392 0.0419
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0079 0.0105
Trypanosoma cruzi ISWI complex protein 0.0015 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.004 0.1171 0.1551
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0054 0.181 1
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0306 0.0077
Brugia malayi Bromodomain containing protein 0.0041 0.1237 0.0749
Onchocerca volvulus 0.004 0.1171 0.0516
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0177 0.7555 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.2501 0.2672
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.1426 0.1887
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.1206 0.0553
Brugia malayi chromobox protein homolog 3 0.0038 0.1072 0.0544
Loa Loa (eye worm) hypothetical protein 0.0046 0.1426 0.1401
Trichomonas vaginalis set domain proteins, putative 0.023 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0931 0.1193
Echinococcus multilocularis chromobox protein 1 0.0068 0.2454 0.3177
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.1426 0.1888
Brugia malayi Pre-SET motif family protein 0.0029 0.0657 0.0029
Loa Loa (eye worm) hypothetical protein 0.0044 0.1347 0.1308
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1504 0.5
Schistosoma mansoni chromobox protein 0.0068 0.2454 0.3248
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0327 0.0331

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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