Detailed information for compound 1498017

Basic information

Technical information
  • TDR Targets ID: 1498017
  • Name: N-(5-chloropyridin-2-yl)-6-methyl-3-(2-methyl propyl)-4-oxofuro[5,4-d]pyrimidine-5-carboxam ide
  • MW: 360.795 | Formula: C17H17ClN4O3
  • H donors: 1 H acceptors: 3 LogP: 2.74 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cn1cnc2c(c1=O)c(C(=O)Nc1ccc(cn1)Cl)c(o2)C)C
  • InChi: 1S/C17H17ClN4O3/c1-9(2)7-22-8-20-16-14(17(22)24)13(10(3)25-16)15(23)21-12-5-4-11(18)6-19-12/h4-6,8-9H,7H2,1-3H3,(H,19,21,23)
  • InChiKey: YYNBKDIDUOZARK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-chloro-2-pyridyl)-3-isobutyl-6-methyl-4-oxo-furo[5,4-d]pyrimidine-5-carboxamide
  • N-(5-chloro-2-pyridyl)-3-isobutyl-6-methyl-4-oxo-5-furo[5,4-d]pyrimidinecarboxamide
  • N-(5-chloro-2-pyridyl)-3-isobutyl-4-keto-6-methyl-furo[5,4-d]pyrimidine-5-carboxamide
  • N-(5-chloropyridin-2-yl)-6-methyl-3-(2-methylpropyl)-4-oxo-furo[5,4-d]pyrimidine-5-carboxamide
  • E947-0623
  • NCGC00126805-01

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
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0025 0.0037
Trypanosoma brucei trypanothione reductase 0.0049 0.1276 0.1254
Echinococcus multilocularis fatty acid amide hydrolase 1 0.01 0.3276 0.4856
Leishmania major monoglyceride lipase, putative 0.0272 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.3276 0.7812
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.3728 0.3712
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.3728 0.3712
Brugia malayi amidase 0.01 0.3276 0.7812
Brugia malayi MH2 domain containing protein 0.0124 0.4194 1
Mycobacterium ulcerans lysophospholipase 0.0272 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0272 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.1276 0.1891
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0272 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0124 0.4215 0.0777
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.1276 0.1254
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0025 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0272 1 1
Mycobacterium tuberculosis Possible lysophospholipase 0.0272 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0025 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0272 1 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0025 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.1276 0.1891
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.3728 0.3712
Schistosoma mansoni fatty-acid amide hydrolase 0.01 0.3276 0.4856
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0025 0.5
Plasmodium vivax glutathione reductase, putative 0.0049 0.1276 0.1254
Trypanosoma brucei monoglyceride lipase, putative 0.0272 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0741 0.1767
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0741 0.1767
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.1276 0.1254
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0272 1 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.3728 0.3712
Plasmodium falciparum glutathione reductase 0.0049 0.1276 0.1254
Echinococcus granulosus geminin 0.0189 0.6747 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0272 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.0741 0.1098
Echinococcus granulosus fatty acid amide hydrolase 1 0.01 0.3276 0.4856
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.1276 0.3041
Trypanosoma brucei monoglyceride lipase, putative 0.0272 1 1
Schistosoma mansoni hypothetical protein 0.0189 0.6747 1
Leishmania major trypanothione reductase 0.0049 0.1276 0.1254
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0272 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0272 1 1
Brugia malayi glutathione reductase 0.0049 0.1276 0.3041
Brugia malayi Thioredoxin reductase 0.0049 0.1276 0.3041
Echinococcus granulosus fatty acid amide hydrolase 1 0.01 0.3276 0.4856
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1379 0.3289
Plasmodium falciparum lysophospholipase, putative 0.0272 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.3728 0.3712
Plasmodium falciparum esterase, putative 0.0272 1 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0025 0.0037
Treponema pallidum NADH oxidase 0.0017 0.0025 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1379 0.3289
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.1276 0.1254
Plasmodium falciparum lysophospholipase, putative 0.0272 1 1
Mycobacterium tuberculosis Probable reductase 0.0112 0.3728 0.3712
Trypanosoma cruzi monoglyceride lipase, putative 0.0272 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1379 0.3289
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0025 0.0059
Echinococcus multilocularis fatty acid amide hydrolase 1 0.01 0.3276 0.4856
Plasmodium falciparum lysophospholipase, putative 0.0272 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0124 0.4215 0.4201
Schistosoma mansoni amidase 0.01 0.3276 0.4856
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0025 0.0037
Echinococcus multilocularis geminin 0.0189 0.6747 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0124 0.4215 0.4201
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.4194 1
Plasmodium vivax PST-A protein 0.0272 1 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0272 1 1
Loa Loa (eye worm) glutathione reductase 0.0049 0.1276 0.3041
Toxoplasma gondii thioredoxin reductase 0.0049 0.1276 1
Schistosoma mansoni hypothetical protein 0.0189 0.6747 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0272 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.4194 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1379 0.3289
Plasmodium falciparum thioredoxin reductase 0.0049 0.1276 0.1254
Mycobacterium tuberculosis Probable oxidoreductase 0.0124 0.4215 0.4201
Mycobacterium ulcerans hypothetical protein 0.0272 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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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