Detailed information for compound 1369275

Basic information

Technical information
  • TDR Targets ID: 1369275
  • Name: 1-(acetyl-(furan-2-ylmethyl)amino)-N-cyclopen tylcyclohexane-1-carboxamide
  • MW: 332.437 | Formula: C19H28N2O3
  • H donors: 1 H acceptors: 2 LogP: 2.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N(C1(CCCCC1)C(=O)NC1CCCC1)Cc1ccco1
  • InChi: 1S/C19H28N2O3/c1-15(22)21(14-17-10-7-13-24-17)19(11-5-2-6-12-19)18(23)20-16-8-3-4-9-16/h7,10,13,16H,2-6,8-9,11-12,14H2,1H3,(H,20,23)
  • InChiKey: HMRSTOSCUQGDRV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(acetyl-(2-furylmethyl)amino)-N-cyclopentyl-cyclohexane-1-carboxamide
  • 1-(acetyl-(2-furylmethyl)amino)-N-cyclopentyl-1-cyclohexanecarboxamide
  • N-cyclopentyl-1-(ethanoyl-(furan-2-ylmethyl)amino)cyclohexane-1-carboxamide
  • ChemDiv2_002664
  • EU-0021311
  • ZINC00246563
  • STK149247
  • MLS000519749
  • SMR000130167

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
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase 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
Plasmodium yoelii histone acetyltransferase GCN5-related 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
Babesia bovis histone acetyltransferase 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
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein 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
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
Brugia malayi acetyltransferase, GNAT family protein 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
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-B 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
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 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
Trichomonas vaginalis bromodomain-containing protein, putative 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
Plasmodium vivax histone acetyltransferase GCN5, putative 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
Cryptosporidium hominis 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
Trichomonas vaginalis AGC family protein kinase 0.0235 0.85 1
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0178 0.6404 0.5862
Loa Loa (eye worm) AGC/AKT protein kinase 0.0235 0.85 0.7716
Entamoeba histolytica PH domain containing protein kinase, putative 0.0138 0.4904 0.577
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.6277 0.433
Echinococcus granulosus protein kinase c epsilon type 0.0099 0.3435 0.2113
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.6277 0.433
Trichomonas vaginalis AGC family protein kinase 0.0235 0.85 1
Echinococcus multilocularis nervana 2 0.0132 0.4664 0.1872
Trichomonas vaginalis AGC family protein kinase 0.0099 0.3435 0.4041
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0132 0.4664 0.1872
Entamoeba histolytica protein kinase, putative 0.0099 0.3435 0.4041
Schistosoma mansoni serine/threonine protein kinase 0.0275 1 1
Entamoeba histolytica protein kinase, putative 0.0235 0.85 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0235 0.85 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.1676 0.201
Echinococcus multilocularis nervana 2 0.0132 0.4664 0.1872
Echinococcus granulosus serine/threonine protein kinase 0.0138 0.4904 0.3878
Entamoeba histolytica protein kinase, putative 0.023 0.8339 0.9811
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.6277 0.5612
Loa Loa (eye worm) acetyltransferase 0.0175 0.6277 0.433
Schistosoma mansoni serine/threonine-protein kinase 0.0138 0.4904 0.2238
Brugia malayi Protein kinase domain containing protein 0.0235 0.85 1
Entamoeba histolytica protein kinase 2, putative 0.0134 0.4743 0.558
Toxoplasma gondii AGC kinase 0.023 0.8339 1
Trichomonas vaginalis AGC family protein kinase 0.0235 0.85 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0134 0.4743 0.3685
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0132 0.4664 0.3589
Entamoeba histolytica PH domain containing protein kinase, putative 0.0138 0.4904 0.577
Echinococcus granulosus protein kinase c iota type 0.0099 0.3435 0.2113
Trichomonas vaginalis AGC family protein kinase 0.0103 0.3596 0.423
Echinococcus granulosus protein kinase C gamma type 0.0099 0.3435 0.2113
Entamoeba histolytica protein kinase, putative 0.0235 0.85 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.023 0.8339 0.747
Giardia lamblia Kinase, AGC AKT 0.0178 0.6404 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0134 0.4743 0.1993
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.1676 0.3534
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0275 1 1
Trichomonas vaginalis AGC family protein kinase 0.0235 0.85 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.1676 0.201
Echinococcus granulosus serine:threonine protein kinase N2 0.0099 0.3435 0.2113
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0134 0.4743 0.9672
Echinococcus granulosus NDR protein kinase 0.0099 0.3435 0.2113
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.1676 0.1972
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0097 0.3356 0.3948
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.6095 0.5308
Giardia lamblia Kinase, AGC PKA 0.0134 0.4743 0.6602
Echinococcus multilocularis Glutaredoxin protein 5 0.0132 0.4664 0.1872
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1517 0.1784
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.1676 0.1972
Echinococcus granulosus Glutaredoxin protein 5 0.0132 0.4664 0.3589
Trichomonas vaginalis AGC family protein kinase 0.0235 0.85 1
Trichomonas vaginalis AGC family protein kinase 0.0235 0.85 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0138 0.4904 1
Echinococcus granulosus nervana 2 0.0132 0.4664 0.3589
Trichomonas vaginalis AGC family protein kinase 0.0235 0.85 1
Echinococcus multilocularis rac serine:threonine kinase 0.0138 0.4904 0.2238
Trichomonas vaginalis AGC family protein kinase 0.0099 0.3435 0.4041
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1517 0.3198
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0099 0.3435 0.2113
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0183 0.6565 1
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0134 0.4743 1
Schistosoma mansoni serine/threonine-protein kinase 0.0138 0.4904 0.2238
Echinococcus granulosus Protein kinase C brain isozyme 0.0099 0.3435 0.2113
Trypanosoma cruzi Protein kinase B 0.0138 0.4904 1
Echinococcus granulosus nervana 2 0.0132 0.4664 0.3589
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0134 0.4743 0.3685
Brugia malayi p70 ribosomal S6 kinase beta 0.023 0.8339 0.9682
Trichomonas vaginalis AGC family protein kinase 0.0099 0.3435 0.4041
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0099 0.3435 0.2113
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0134 0.4743 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0275 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 13.1154 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) 25.1189 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) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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