Detailed information for compound 1394330

Basic information

Technical information
  • TDR Targets ID: 1394330
  • Name: 3-methyl-4-oxo-N-(pyridin-3-ylmethyl)phthalaz ine-1-carboxamide
  • MW: 294.308 | Formula: C16H14N4O2
  • H donors: 1 H acceptors: 3 LogP: 1.01 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nn(C)c(=O)c2c1cccc2)NCc1cccnc1
  • InChi: 1S/C16H14N4O2/c1-20-16(22)13-7-3-2-6-12(13)14(19-20)15(21)18-10-11-5-4-8-17-9-11/h2-9H,10H2,1H3,(H,18,21)
  • InChiKey: UGPBMAQUYZODNF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-methyl-4-oxo-N-(3-pyridylmethyl)phthalazine-1-carboxamide
  • 3-methyl-4-oxo-N-(3-pyridylmethyl)-1-phthalazinecarboxamide
  • 4-keto-3-methyl-N-(3-pyridylmethyl)phthalazine-1-carboxamide
  • SMR000076738
  • IDI1_003697
  • SDCCGMLS-0052652.P002
  • 3-methyl-4-oxo-N-(3-pyridinylmethyl)-3,4-dihydro-1-phthalazinecarboxamide
  • MLS000063897
  • STOCK4S-86768
  • ChemDiv2_004982
  • ZINC00610040

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0068 0.0097
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0249 0.042
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0157 0.1557 0.5
Giardia lamblia Fructose-bisphosphate aldolase 0.0322 0.3572 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0249 0.0711
Brugia malayi RNA recognition motif domain containing protein 0.007 0.0486 0.0845
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.027 0.0458
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0316 0.3502 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.3572 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0249 0.0235
Echinococcus granulosus tar DNA binding protein 0.007 0.0486 0.1388
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0157 0.1557 0.5
Brugia malayi Pre-SET motif family protein 0.0217 0.2293 0.4079
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0316 0.3502 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0068 0.0097
Echinococcus multilocularis tar DNA binding protein 0.007 0.0486 0.0473
Brugia malayi RNA binding protein 0.007 0.0486 0.0845
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0014 0.004
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.3572 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.3572 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0157 0.1557 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0249 0.0235
Leishmania major 0.0316 0.3502 0.5
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0118 0.1071 0.3031
Onchocerca volvulus 0.0488 0.5602 1
Schistosoma mansoni hypothetical protein 0.0036 0.0068 0.0155
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0249 0.0673
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0322 0.3572 0.5
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0316 0.3502 0.6241
Echinococcus multilocularis Protein lozenge 0.0061 0.0381 0.0368
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.0486 0.0845
Brugia malayi TAR-binding protein 0.007 0.0486 0.0845
Onchocerca volvulus 0.0248 0.2661 0.4736
Treponema pallidum fructose-bisphosphate aldolase 0.0322 0.3572 0.5
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0316 0.3502 0.3492
Plasmodium vivax SET domain protein, putative 0.0031 0.0014 0.5
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0316 0.3502 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.0486 0.1354
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0316 0.3502 1
Toxoplasma gondii fructose-bisphospatase II 0.0316 0.3502 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0249 0.042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0249 0.0673
Loa Loa (eye worm) hypothetical protein 0.0052 0.027 0.0458
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0249 0.0673
Schistosoma mansoni tar DNA-binding protein 0.007 0.0486 0.1354
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.2293 0.4079
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.3572 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.0486 0.1354
Loa Loa (eye worm) TAR-binding protein 0.007 0.0486 0.0845
Brugia malayi hypothetical protein 0.0488 0.5602 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.0486 0.1354
Loa Loa (eye worm) runx1 0.0061 0.0381 0.0657
Loa Loa (eye worm) hypothetical protein 0.0488 0.5602 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.3572 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0316 0.3502 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0322 0.3572 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.027 0.0458
Loa Loa (eye worm) RNA binding protein 0.007 0.0486 0.0845
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.3572 1
Schistosoma mansoni lozenge 0.0061 0.0381 0.1053
Loa Loa (eye worm) hypothetical protein 0.0488 0.5602 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.027 0.0458
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0249 0.0711
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.3572 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.3572 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.0486 0.1354
Brugia malayi fructose-1,6-bisphosphatase 0.0316 0.3502 0.6241
Toxoplasma gondii fructose-bisphospatase I 0.0118 0.1071 0.3031

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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