Detailed information for compound 1387321

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 275.73 | Formula: C15H14ClNO2
  • H donors: 1 H acceptors: 2 LogP: 2.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1ccc(c(c1=O)Cc1ccc(cc1)Cl)O
  • InChi: 1S/C15H14ClNO2/c1-2-8-17-9-7-14(18)13(15(17)19)10-11-3-5-12(16)6-4-11/h2-7,9,18H,1,8,10H2
  • InChiKey: CGNXHLMIDNSTOX-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
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis histone acetyltransferase 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
Brugia malayi acetyltransferase, GNAT family protein 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
Plasmodium berghei histone acetyltransferase GCN5, putative 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 vivax 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 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
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, 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
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0066 0.0227 0.013
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0053 0.5
Loa Loa (eye worm) hypothetical protein 0.0113 0.0814 0.0722
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1513 0.1468
Brugia malayi MH2 domain containing protein 0.0144 0.1194 0.1383
Loa Loa (eye worm) hypothetical protein 0.0066 0.0227 0.013
Loa Loa (eye worm) RGC/RGC protein kinase 0.0066 0.0227 0.013
Echinococcus granulosus nmda type glutamate receptor 0.0066 0.0227 0.0176
Echinococcus multilocularis receptor type guanylyl cyclase 0.0066 0.0227 0.013
Loa Loa (eye worm) hypothetical protein 0.086 1 1
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0066 0.0227 0.0162
Loa Loa (eye worm) hypothetical protein 0.0066 0.0227 0.013
Loa Loa (eye worm) acetyltransferase 0.0175 0.1574 0.1489
Echinococcus multilocularis glutamate receptor 2 0.0066 0.0227 0.013
Leishmania major extracellular receptor, putative 0.0066 0.0227 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1194 0.1106
Schistosoma mansoni metabotropic glutamate receptor 0.034 0.3608 0.3859
Loa Loa (eye worm) hypothetical protein 0.0066 0.0227 0.013
Schistosoma mansoni tyrosine kinase 0.0066 0.0227 0.0141
Schistosoma mansoni tyrosine kinase 0.0066 0.0227 0.0141
Echinococcus granulosus receptor type guanylyl cyclase 0.0066 0.0227 0.0176
Brugia malayi Receptor family ligand binding region containing protein 0.0066 0.0227 0.0162
Loa Loa (eye worm) hypothetical protein 0.0179 0.1622 0.1538
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0066 0.0227 0.013
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0633 0.7206 0.8979
Loa Loa (eye worm) RGC/RGC protein kinase 0.0066 0.0227 0.013
Brugia malayi Guanylyl cyclase protein 23 0.0066 0.0227 0.0162
Loa Loa (eye worm) glutamate receptor 0.0275 0.28 0.2728
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0 0.5
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0179 0.1622 0.1538
Echinococcus granulosus GPCR family 3 C terminal 0.0113 0.0814 0.0766
Loa Loa (eye worm) RGC/RGC protein kinase 0.0066 0.0227 0.013
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0053 0.5
Entamoeba histolytica hypothetical protein 0.0066 0.0227 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0099 0.0047
Schistosoma mansoni glutamate receptor NMDA 0.0066 0.0227 0.0141
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0099 0.0047
Loa Loa (eye worm) hypothetical protein 0.0066 0.0227 0.013
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0113 0.0814 0.0904
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0053 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0227 0.013
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0794 0.9192 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1194 0.1106
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0066 0.0227 0.0176
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0113 0.0814 1
Echinococcus granulosus tyrosine kinase 0.0066 0.0227 0.0176
Brugia malayi hypothetical protein 0.0066 0.0227 0.0162
Echinococcus multilocularis tyrosine kinase 0.0066 0.0227 0.013
Echinococcus granulosus atrial natriuretic peptide receptor 0.0066 0.0227 0.0176
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0066 0.0227 0.013
Loa Loa (eye worm) hypothetical protein 0.0066 0.0227 0.013
Brugia malayi Metabotropic glutamate receptor precursor. 0.0698 0.8014 1
Schistosoma mansoni hypothetical protein 0.0113 0.0814 0.0786
Brugia malayi Receptor family ligand binding region containing protein 0.0179 0.1622 0.1925
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0066 0.0227 0.013
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0585 0.6619 0.6585
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0179 0.1622 0.1538
Echinococcus granulosus glutamate receptor 2 0.0066 0.0227 0.0176
Trypanosoma cruzi extracellular receptor, putative 0.0066 0.0227 0.5
Loa Loa (eye worm) glutamate receptor 0.0698 0.8014 0.7994
Echinococcus granulosus metabotropic glutamate receptor 2 0.0585 0.6619 0.6601
Schistosoma mansoni protein kinase 0.0066 0.0227 0.0141
Echinococcus multilocularis metabotropic glutamate receptor 5 0.086 1 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0066 0.0227 0.0176
Echinococcus granulosus glutamate receptor 2 0.0066 0.0227 0.0176
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0066 0.0227 0.013
Echinococcus multilocularis nmda type glutamate receptor 0.0066 0.0227 0.013
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0066 0.0227 0.0176
Onchocerca volvulus Poor gastrulation protein homolog 0.0113 0.0814 1
Schistosoma mansoni metabotropic glutamate receptor 0.0585 0.6619 0.717
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.1574 0.1622
Loa Loa (eye worm) hypothetical protein 0.0066 0.0227 0.013
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.1574 0.1489
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0053 0.5
Echinococcus multilocularis GPCR, family 3, C terminal 0.0113 0.0814 0.0722
Brugia malayi metabotropic glutamate receptor type 2 0.034 0.3608 0.4434
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0066 0.0227 0.013
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0053 0.5
Echinococcus multilocularis glutamate receptor 2 0.0066 0.0227 0.013
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0066 0.0227 0.0176
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.1574 0.1863

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae 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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