Detailed information for compound 1291776

Basic information

Technical information
  • TDR Targets ID: 1291776
  • Name: 6-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydro-[1, 2,4]triazolo[5,1-b]quinazolin-9-amine
  • MW: 241.292 | Formula: C13H15N5
  • H donors: 1 H acceptors: 3 LogP: 2.19 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCNc1c2CCC(Cc2nc2n1ncn2)C
  • InChi: 1S/C13H15N5/c1-3-6-14-12-10-5-4-9(2)7-11(10)17-13-15-8-16-18(12)13/h1,8-9,14H,4-7H2,2H3
  • InChiKey: ZMXMYXKICFIOOQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)-propargyl-amine
  • ASN 09583975
  • MLS000708360
  • SMR000287827

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
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
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
Plasmodium knowlesi 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
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
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 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 falciparum histone acetyltransferase GCN5 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 hypothetical protein 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
Entamoeba histolytica acetyltransferase, GNAT family 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
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase 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 yoelii histone acetyltransferase GCN5-related 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
Loa Loa (eye worm) acetyltransferase 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
Cryptosporidium hominis histone acetyltransferase 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

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
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.104 0.1089
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1823 1
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.02 0.02
Echinococcus granulosus zinc finger protein 0.0023 0.0316 0.0331
Loa Loa (eye worm) hypothetical protein 0.0044 0.1601 0.1601
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0227 0.0238
Echinococcus granulosus histone acetyltransferase KAT2B 0.0054 0.2236 0.2342
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.104 0.104
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0227 0.0227
Trichomonas vaginalis bromodomain-containing protein, putative 0.0054 0.2236 1
Schistosoma mansoni bromodomain containing protein 0.0065 0.2969 0.2969
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1823 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.2752 0.2752
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0054 0.2236 1
Brugia malayi Bromodomain containing protein 0.0077 0.3681 0.3681
Loa Loa (eye worm) hypothetical protein 0.0037 0.1188 0.1188
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0054 0.2236 1
Echinococcus multilocularis zinc finger protein 0.0023 0.0316 0.0316
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0227 0.0227
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.9548 1
Schistosoma mansoni zinc finger protein 0.0023 0.0316 0.0316
Loa Loa (eye worm) hypothetical protein 0.0068 0.3151 0.3151
Brugia malayi PHD-finger family protein 0.0028 0.064 0.064
Schistosoma mansoni hypothetical protein 0.002 0.0111 0.0111
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.2752 0.2882
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1823 1
Brugia malayi Bromodomain containing protein 0.0041 0.1453 0.1453
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0054 0.2236 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.1717 0.1717
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0054 0.2236 1
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0111 0.0111

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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