Detailed information for compound 1487749

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.467 | Formula: C22H26N4O2
  • H donors: 1 H acceptors: 3 LogP: 3.99 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1noc(c1C(=O)NC1CC(C)(C)Cc2c1cnn2c1ccccc1)C
  • InChi: 1S/C22H26N4O2/c1-5-17-20(14(2)28-25-17)21(27)24-18-11-22(3,4)12-19-16(18)13-23-26(19)15-9-7-6-8-10-15/h6-10,13,18H,5,11-12H2,1-4H3,(H,24,27)
  • InChiKey: GMOKPJCTTFXCOU-UHFFFAOYSA-N  

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
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
Plasmodium knowlesi histone acetyltransferase GCN5, 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
Entamoeba histolytica acetyltransferase, GNAT family 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
Babesia bovis histone acetyltransferase 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
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase 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 falciparum histone acetyltransferase GCN5 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
Giardia lamblia Histone acetyltransferase GCN5 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
Cryptosporidium parvum GCN5 like acetylase + bromodomain 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
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
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, 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
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
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase 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
Neospora caninum hypothetical 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

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 conserved hypothetical protein 0.0165 0.1415 0.2429
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0 0.5
Giardia lamblia High cysteine membrane protein Group 2 0.0316 0.3311 1
Brugia malayi neuroendocrine convertase 1 precursor 0.0535 0.6045 0.5321
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0201 0.187 0.321
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0201 0.187 0.321
Loa Loa (eye worm) proprotein convertase 2 0.0201 0.187 0.0383
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0 0.5
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0165 0.1415 0.2429
Trichomonas vaginalis conserved hypothetical protein 0.0165 0.1415 0.2429
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0517 0.5825 1
Echinococcus granulosus Furin 1 0.0201 0.187 0.187
Schistosoma mansoni furin-1 (S08 family) 0.037 0.3986 0.2995
Echinococcus multilocularis neuroendocrine convertase 2 0.0535 0.6045 0.7035
Trichomonas vaginalis hypothetical protein 0.0165 0.1415 0.2429
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0165 0.1415 0.2429
Trichomonas vaginalis conserved hypothetical protein 0.0165 0.1415 0.2429
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0201 0.187 0.321
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.1546 0.0153
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0165 0.1415 0.2429
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1485 0.1485
Trichomonas vaginalis conserved hypothetical protein 0.0165 0.1415 0.2429
Loa Loa (eye worm) endoprotease bli-4 0.0851 1 1
Brugia malayi proprotein convertase 2 0.0535 0.6045 0.5321
Trichomonas vaginalis conserved hypothetical protein 0.0165 0.1415 0.2429
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0517 0.5825 1
Echinococcus multilocularis 0.0686 0.7941 1
Echinococcus granulosus furin 0.0851 1 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0201 0.187 0.321
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0165 0.1415 0.2429
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0851 1 1
Brugia malayi celfurPC protein 0.0686 0.7941 0.7565
Loa Loa (eye worm) hypothetical protein 0.0334 0.3531 0.2348
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0201 0.187 0.053
Trichomonas vaginalis conserved hypothetical protein 0.0165 0.1415 0.2429
Trichomonas vaginalis conserved hypothetical protein 0.0165 0.1415 0.2429
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0201 0.187 0.321
Trichomonas vaginalis conserved hypothetical protein 0.0165 0.1415 0.2429
Echinococcus granulosus neuroendocrine convertase 2 0.0535 0.6045 0.6045
Trichomonas vaginalis conserved hypothetical protein 0.0165 0.1415 0.2429
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0201 0.187 0.321
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0517 0.5825 0.6691
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0517 0.5825 0.5825
Trichomonas vaginalis conserved hypothetical protein 0.0165 0.1415 0.2429
Loa Loa (eye worm) hypothetical protein 0.0851 1 1
Echinococcus multilocularis Furin 1 0.0201 0.187 0.0506

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 9.285 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

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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