Detailed information for compound 1306630

Basic information

Technical information
  • TDR Targets ID: 1306630
  • Name: 2-(2-(2,6-dimethylheptan-4-ylidene)hydrazinyl )-6-methyl-1H-pyrimidin-4-one
  • MW: 264.367 | Formula: C14H24N4O
  • H donors: 2 H acceptors: 3 LogP: 3.62 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC(=NNc1nc(C)cc(n1)O)CC(C)C)C
  • InChi: 1S/C14H24N4O/c1-9(2)6-12(7-10(3)4)17-18-14-15-11(5)8-13(19)16-14/h8-10H,6-7H2,1-5H3,(H2,15,16,18,19)
  • InChiKey: QEUZYIOHMKQOBD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[N'-(1-isobutyl-3-methyl-butylidene)hydrazino]-6-methyl-1H-pyrimidin-4-one
  • 2-[N'-(1-isobutyl-3-methylbutylidene)hydrazino]-6-methyl-1H-pyrimidin-4-one
  • MLS000418606
  • SMR000247475
  • T0509-6513
  • ZINC04864635

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi jmjC domain containing protein 0.0043 0.0834 0.2624
Schistosoma mansoni ran 0.0023 0.0187 0.0187
Brugia malayi hypothetical protein 0.003 0.0441 0.1388
Echinococcus granulosus importin subunit beta 1 0.0031 0.0447 0.0447
Schistosoma mansoni ran 0.0023 0.0187 0.0187
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0104 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.4754 0.4754
Loa Loa (eye worm) intermediate filament protein 0.0033 0.051 0.051
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0261 1
Schistosoma mansoni hypothetical protein 0.0035 0.0595 0.0595
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0447 1
Brugia malayi PHD-finger family protein 0.0035 0.0595 0.1872
Echinococcus granulosus intermediate filament protein 0.0033 0.051 0.051
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0187 0.1684
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0022 0.0022
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0834 0.0834
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2413 0.2413
Echinococcus granulosus lamin 0.0033 0.051 0.051
Entamoeba histolytica hypothetical protein 0.0025 0.0261 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0187 0.2452
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0441 0.9821
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0595 0.0595
Schistosoma mansoni intermediate filament proteins 0.0033 0.051 0.051
Schistosoma mansoni ap endonuclease 0.002 0.0104 0.0104
Echinococcus multilocularis lamin dm0 0.0033 0.051 0.051
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0627 0.1973
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0187 0.0187
Brugia malayi RNA, U transporter 1 0.0087 0.2268 0.7138
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.436 0.436
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0441 0.687
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0441 1
Leishmania major hypothetical protein, conserved 0.003 0.0441 1
Schistosoma mansoni lamin 0.0033 0.051 0.051
Schistosoma mansoni thyroid hormone receptor 0.0164 0.4754 0.4754
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1167 0.3673
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0834 0.0834
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0104 0.0327
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0441 0.687
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0441 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0595 0.0595
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0447 0.6995
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0104 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0441 0.0441
Echinococcus granulosus peregrin 0.0035 0.0595 0.0595
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.051 0.051
Loa Loa (eye worm) hypothetical protein 0.0031 0.0447 0.0447
Plasmodium falciparum importin beta, putative 0.0031 0.0447 0.6995
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0595 1
Trichomonas vaginalis ran, putative 0.0023 0.0187 0.5279
Echinococcus multilocularis peregrin 0.0035 0.0595 0.0595
Brugia malayi jmjC domain containing protein 0.0115 0.3177 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0104 0.0104
Plasmodium vivax importin-beta 2, putative 0.0031 0.0447 0.6995
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0187 0.2452
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0595 0.0595
Brugia malayi Bromodomain containing protein 0.0035 0.0595 0.1872
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1167 0.3673
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0447 1
Schistosoma mansoni importin beta-1 0.0031 0.0447 0.0447
Echinococcus granulosus lamin dm0 0.0033 0.051 0.051
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.3177 0.3177
Loa Loa (eye worm) hypothetical protein 0.0033 0.051 0.051
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0441 0.687
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0441 0.687
Loa Loa (eye worm) hypothetical protein 0.0053 0.1167 0.1167
Entamoeba histolytica Ran family GTPase 0.0023 0.0187 0.5279
Brugia malayi intermediate filament protein 0.0033 0.051 0.1604
Giardia lamblia PHD finger protein 15 0.0035 0.0595 1
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0834 0.0834
Loa Loa (eye worm) hypothetical protein 0.0036 0.0627 0.0627
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0022 0.007
Loa Loa (eye worm) hypothetical protein 0.006 0.1406 0.1406
Plasmodium falciparum phd finger protein, putative 0.0035 0.0595 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0104 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.3177 0.3177
Leishmania major importin beta-1 subunit, putative 0.0025 0.0261 0.4645
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1039 0.1039
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.051 0.1604
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0187 0.1684
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0595 0.0595
Schistosoma mansoni hypothetical protein 0.0152 0.436 0.436
Schistosoma mansoni hypothetical protein 0.0327 1 1
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0447 0.0447
Schistosoma mansoni lamin 0.0033 0.051 0.051
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0834 0.0834
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0104 0.0104
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0187 0.2408
Schistosoma mansoni hypothetical protein 0.0036 0.0627 0.0627
Brugia malayi Importin beta-1 subunit 0.0031 0.0447 0.1408
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0187 0.0587
Schistosoma mansoni ap endonuclease 0.002 0.0104 0.0104
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1039 0.1039
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0834 0.0834
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0187 0.1684
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0327 1 1
Leishmania major GTP-binding protein, putative 0.0023 0.0187 0.2452
Schistosoma mansoni thyroid hormone receptor 0.0164 0.4754 0.4754
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0261 1
Echinococcus multilocularis snurportin 1 0.0327 1 1
Echinococcus multilocularis musashi 0.0033 0.051 0.051
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0187 0.0187
Brugia malayi hypothetical protein 0.002 0.0093 0.0294
Loa Loa (eye worm) hypothetical protein 0.0032 0.049 0.049
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0261 0.4645
Onchocerca volvulus Alhambra homolog 0.0035 0.0595 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0261 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0104 0.0104
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0595 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1803 0.1803
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.436 0.436
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0187 0.1684
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0104 0.5
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0187 0.0187
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1167 0.1167
Loa Loa (eye worm) hypothetical protein 0.0035 0.0595 0.0595
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0595 1
Echinococcus multilocularis lamin 0.0033 0.051 0.051

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 um PUBCHEM_BIOASSAY: Chemical Antagonists IAP-family anti-apoptotic proteins. (Class of assay: confirmatory) [Related pubchem assays: 1513, 1514, 1449 ] ChEMBL. No reference
IC50 (binding) > 100 uM PUBCHEM_BIOASSAY: Counter Screen using XIAP-Bir3 for Chemical Antagonists of Bir1/2 domains of IAP-family anti-apoptotic proteins. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1018, AID1449, AID1514, AID1638, AID1749, AID1750, AID488957, AID488963] ChEMBL. No reference
Potency (functional) = 0.0891 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.4467 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 7.3753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) 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 Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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) 47.7548 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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 Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (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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