Detailed information for compound 1313618

Basic information

Technical information
  • TDR Targets ID: 1313618
  • Name: 5-ethyl-2-hydrazinyl-5-methyl-1,6-dihydrobenz o[h]quinazolin-4-one
  • MW: 270.33 | Formula: C15H18N4O
  • H donors: 3 H acceptors: 3 LogP: 3.12 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1(C)Cc2ccccc2c2c1c(O)nc(n2)NN
  • InChi: 1S/C15H18N4O/c1-3-15(2)8-9-6-4-5-7-10(9)12-11(15)13(20)18-14(17-12)19-16/h4-7H,3,8,16H2,1-2H3,(H2,17,18,19,20)
  • InChiKey: USWIFQGRULOVFX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-ethyl-2-hydrazino-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one
  • STOCK3S-80802

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi PHD-finger family protein 0.003 0.0285 0.0239
Schistosoma mansoni jumonji domain containing protein 0.0071 0.1607 0.1567
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.1681 0.1642
Brugia malayi Bromodomain containing protein 0.0091 0.2238 0.2201
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0047 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1642 0.1642
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1642 0.1642
Echinococcus multilocularis carbonic anhydrase 0.0141 0.3864 0.3864
Echinococcus granulosus carbonic anhydrase 0.0141 0.3864 0.3864
Loa Loa (eye worm) hypothetical protein 0.0141 0.3864 0.3862
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0047 0.0047
Echinococcus multilocularis carbonic anhydrase 0.0141 0.3864 0.3864
Loa Loa (eye worm) hypothetical protein 0.0141 0.3864 0.3862
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0128 0.3438 1
Echinococcus multilocularis zinc finger protein 0.0024 0.0077 0.0077
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1681 0.1642
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0193 0.0193
Echinococcus granulosus carbonic anhydrase 0.0141 0.3864 0.3864
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1681 0.2501
Schistosoma mansoni carbonic anhydrase 0.0225 0.658 0.6564
Toxoplasma gondii hypothetical protein 0.0141 0.3864 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.1781 0.1742
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0118 0.0116
Brugia malayi jmjC domain containing protein 0.0073 0.1681 0.1642
Schistosoma mansoni hypothetical protein 0.0041 0.0643 0.0598
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1258 0.1216
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0097 0.2456 0.7104
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0047 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0902 0.09
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1681 0.2501
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0225 0.658 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1681 0.1681
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1681 0.1642
Echinococcus granulosus carbonic anhydrase 0.0141 0.3864 0.3864
Trichomonas vaginalis conserved hypothetical protein 0.0097 0.2456 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1681 0.4819
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0141 0.3864 0.3835
Plasmodium falciparum carbonic anhydrase 0.0141 0.3864 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0193 0.0193
Schistosoma mansoni carbonic anhydrase-related 0.0141 0.3864 0.3835
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.1607 0.1607
Leishmania major carbonic anhydrase family protein, putative 0.0225 0.658 0.6564
Loa Loa (eye worm) hypothetical protein 0.0052 0.0977 0.0974
Mycobacterium ulcerans carbonic anhydrase 0.0225 0.658 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1258 0.1216
Loa Loa (eye worm) hypothetical protein 0.0085 0.2071 0.2069
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0047 0.5
Schistosoma mansoni hypothetical protein 0.0141 0.3864 0.3835
Schistosoma mansoni carbonic anhydrase 0.0141 0.3864 0.3835
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0141 0.3864 0.3835
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0643 0.0598
Schistosoma mansoni zinc finger protein 0.0024 0.0077 0.003
Mycobacterium ulcerans carbonic anhydrase 0.0097 0.2456 0.3687
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.1607 0.1607
Schistosoma mansoni hypothetical protein 0.0025 0.0118 0.0072
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.1681 0.1642
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0193 0.0146
Trichomonas vaginalis conserved hypothetical protein 0.0097 0.2456 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0047 0.0044
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1681 0.1681
Brugia malayi jmjC domain containing protein 0.0071 0.1607 0.1567
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0715 0.0715
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0047 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0141 0.3864 0.3835
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.1681 0.1681
Echinococcus multilocularis carbonic anhydrase 0.0141 0.3864 0.3864
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0141 0.3864 0.3835
Echinococcus granulosus zinc finger protein 0.0024 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.006 0.1258 0.1255
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1681 0.2501
Entamoeba histolytica carbonic anhydrase, putative 0.0225 0.658 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0141 0.3864 0.3835
Loa Loa (eye worm) hypothetical protein 0.0041 0.0643 0.064
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1681 0.4281
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0141 0.3864 0.3862
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1681 0.1642
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0141 0.3864 0.3835
Loa Loa (eye worm) hypothetical protein 0.0046 0.081 0.0807
Brugia malayi Bromodomain containing protein 0.0046 0.0807 0.0764
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1258 0.1255
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.1607 0.1607
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1681 0.1679
Loa Loa (eye worm) hypothetical protein 0.0141 0.3864 0.3862
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0715 0.0715
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0047 0.0047
Schistosoma mansoni carbonic anhydrase-related 0.0141 0.3864 0.3835

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.4662 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 18.526 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) = 19.9526 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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