Detailed information for compound 1281045

Basic information

Technical information
  • TDR Targets ID: 1281045
  • Name: N'-[(1E)-1-(2,4,6-trioxo-1-phenyl-1,3-diazina n-5-ylidene)ethyl]pyridine-4-carbohydrazide
  • MW: 365.343 | Formula: C18H15N5O4
  • H donors: 3 H acceptors: 5 LogP: 1.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccncc1)NN/C(=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1)/C
  • InChi: 1S/C18H15N5O4/c1-11(21-22-15(24)12-7-9-19-10-8-12)14-16(25)20-18(27)23(17(14)26)13-5-3-2-4-6-13/h2-10,21H,1H3,(H,22,24)(H,20,25,27)/b14-11+
  • InChiKey: HDWQFNQJEMAVGE-SDNWHVSQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-[1-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)ethyl]pyridine-4-carbohydrazide
  • N'-[(1E)-1-(2,4,6-trioxo-1-phenyl-hexahydropyrimidin-5-ylidene)ethyl]pyridine-4-carbohydrazide
  • N'-[1-(2,4,6-trioxo-1-phenyl-hexahydropyrimidin-5-ylidene)ethyl]pyridine-4-carbohydrazide
  • N'-[(1E)-1-(2,4,6-trioxo-1-phenyl-5-hexahydropyrimidinylidene)ethyl]-4-pyridinecarbohydrazide
  • N'-[1-(2,4,6-trioxo-1-phenyl-5-hexahydropyrimidinylidene)ethyl]-4-pyridinecarbohydrazide
  • N'-[(1E)-1-(2,4,6-triketo-1-phenyl-hexahydropyrimidin-5-ylidene)ethyl]isonicotinohydrazide
  • N'-[1-(2,4,6-triketo-1-phenyl-hexahydropyrimidin-5-ylidene)ethyl]isonicotinohydrazide
  • SMR000438310
  • STOCK4S-27868
  • ZINC05111898
  • Isonicotinic acid N'-{1-[2,4,6-trioxo-1-phenyl-tetrahydro-pyrimidin-(5E)-ylidene]-ethyl}-hydrazide
  • MLS000559873

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0015 0.0788 0.0824
Toxoplasma gondii protease inhibitor PI2 0.002 0.2044 0.1431
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.002 0.2044 0.2022
Onchocerca volvulus Putative organic anion transporter 0.003 0.4205 1
Brugia malayi secreted modular calcium-binding protein 1 0.002 0.2044 0.1364
Giardia lamblia Multidrug resistance-associated protein 1 0.0015 0.0788 0.0031
Loa Loa (eye worm) agrin synaptic family protein 0.002 0.2044 0.2022
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 1 1
Schistosoma mansoni agrin 0.002 0.2044 0.1364
Loa Loa (eye worm) hypothetical protein 0.003 0.4205 0.4189
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.9564 1
Echinococcus granulosus Solute carrier organic anion transporter family 0.003 0.4205 0.4205
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0015 0.0788 0.0824
Echinococcus multilocularis Solute carrier organic anion transporter family 0.003 0.4205 0.4205
Loa Loa (eye worm) hypothetical protein 0.002 0.2044 0.2022
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.002 0.2044 0.1431
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.9564 1
Echinococcus granulosus agrin 0.002 0.2044 0.2044
Schistosoma mansoni follistatin 0.002 0.2044 0.1364
Trypanosoma cruzi multidrug resistance protein E, putative 0.0015 0.0788 0.0824
Echinococcus multilocularis multidrug resistance associated protein 1 0.0015 0.0788 0.0788
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0015 0.0788 0.0763
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2713 0.2193
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.2713 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2713 0.2193
Schistosoma mansoni DNA polymerase eta 0.0023 0.2713 0.2089
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2713 0.2193
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.9564 0.9563
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.2713 0.2713
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.002 0.2044 0.1364
Toxoplasma gondii transporter, major facilitator family protein 0.003 0.4205 0.3893
Schistosoma mansoni organic anion transporter 0.003 0.4205 0.3709
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.9564 0.9527
Onchocerca volvulus 0.003 0.4205 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2713 0.2836
Echinococcus multilocularis follistatin 0.002 0.2044 0.2044
Trypanosoma brucei unspecified product 0.0016 0.1062 0.0312
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2713 0.2193
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.2713 0.2193
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.002 0.2044 0.1431
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.002 0.2044 0.1431
Loa Loa (eye worm) sodium-independent organic anion transporter 0.003 0.4205 0.4189
Loa Loa (eye worm) hypothetical protein 0.003 0.4205 0.4189
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.9564 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Brugia malayi prostaglandin transporter 0.003 0.4205 0.3709
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.9564 0.9564
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2713 0.2193
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.2713 0.5
Leishmania major DNA polymerase eta, putative 0.0023 0.2713 0.2193
Loa Loa (eye worm) hypothetical protein 0.0023 0.2713 0.2693
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1062 0.0312
Onchocerca volvulus 0.003 0.4205 1
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.002 0.2044 0.1364
Loa Loa (eye worm) hypothetical protein 0.0015 0.076 0.0735
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1062 0.0312
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1062 0.0312
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.9564 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2713 0.2836
Echinococcus granulosus follistatin 0.002 0.2044 0.2044
Echinococcus multilocularis dna polymerase kappa 0.0023 0.2713 0.2713
Echinococcus granulosus organic anion transporting polypeptide 30B 0.003 0.4205 0.4205
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.9564 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.9564 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.9564 0.9564
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.9564 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.2713 0.2693
Loa Loa (eye worm) hypothetical protein 0.002 0.2044 0.2022
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.9564 0.9564
Brugia malayi sodium-independent organic anion transporter family protein 0.003 0.4205 0.3709
Onchocerca volvulus 0.003 0.4205 1
Giardia lamblia MRP-like ABC transporter 0.0015 0.0788 0.0031
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2713 0.2836
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2713 0.2193
Trypanosoma brucei unspecified product 0.0023 0.2713 0.2193
Trypanosoma brucei unspecified product 0.0016 0.1062 0.0312
Brugia malayi sodium-independent organic anion transporter family protein 0.003 0.4205 0.3709
Giardia lamblia ABC transporter, putative 0.0015 0.0788 0.0031
Loa Loa (eye worm) hypothetical protein 0.003 0.4205 0.4189
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.2713 1
Loa Loa (eye worm) hypothetical protein 0.002 0.2044 0.2022
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.2713 0.2089
Onchocerca volvulus Putative organic anion transporter 0.003 0.4205 1
Brugia malayi sodium-independent organic anion transporter family protein 0.003 0.4205 0.3709
Echinococcus multilocularis expressed protein 0.002 0.2044 0.2044
Brugia malayi SPARC precursor 0.002 0.2044 0.1364
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.2713 0.2713
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2713 0.2193
Loa Loa (eye worm) hypothetical protein 0.0015 0.0788 0.0763
Giardia lamblia Multidrug resistance-associated protein 1 0.0015 0.0788 0.0031
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.002 0.2044 0.1364
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.2713 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2713 0.2193
Onchocerca volvulus 0.003 0.4205 1
Loa Loa (eye worm) hypothetical protein 0.002 0.2044 0.2022
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Echinococcus granulosus dna polymerase eta 0.0023 0.2713 0.2713
Onchocerca volvulus 0.003 0.4205 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0015 0.0788 0.0788
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2713 0.2193
Loa Loa (eye worm) hypothetical protein 0.003 0.4205 0.4189
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2713 0.2836
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.2713 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.2713 0.2836
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2713 0.2193
Schistosoma mansoni organic anion transporter 0.003 0.4205 0.3709
Echinococcus multilocularis dna polymerase eta 0.0023 0.2713 0.2713
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.2713 0.2089
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.4205 0.4189
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.9564 1
Echinococcus multilocularis agrin 0.002 0.2044 0.2044
Echinococcus granulosus dna polymerase kappa 0.0023 0.2713 0.2713
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.002 0.2044 0.1364
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.9564 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0015 0.0788 0.0788
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.9564 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2713 0.2193
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.2713 0.2193
Loa Loa (eye worm) hypothetical protein 0.003 0.4205 0.4189
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.9564 0.9564
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2713 0.2193
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.9564 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.9564 1
Loa Loa (eye worm) hypothetical protein 0.003 0.4205 0.4189
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.002 0.2044 0.1431
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.003 0.4205 0.4205
Echinococcus granulosus multidrug resistance associated protein 7 0.0015 0.0788 0.0788
Giardia lamblia DINP protein human, muc B family 0.0023 0.2713 0.2217
Brugia malayi hypothetical protein 0.003 0.4205 0.3709
Loa Loa (eye worm) hypothetical protein 0.0015 0.0788 0.0763
Brugia malayi MAP kinase sur-1 0.0053 0.9564 0.9527
Leishmania major DNA polymerase kappa, putative 0.0023 0.2713 0.2193
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.9564 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2713 0.2193
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.2713 0.2089
Onchocerca volvulus Putative organic anion transporter 0.003 0.4205 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Trypanosoma brucei protein kinase, putative 0.0053 0.9564 1
Brugia malayi hypothetical protein 0.003 0.4205 0.3709
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.2713 0.2089
Trypanosoma cruzi MFS transporter, putative 0.003 0.4205 0.4396

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

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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