Detailed information for compound 1219404

Basic information

Technical information
  • TDR Targets ID: 1219404
  • Name: 2-[4-amino-6-(naphthalen-1-ylamino)-1,3,5-tri azin-2-yl]cyclopentan-1-one
  • MW: 319.36 | Formula: C18H17N5O
  • H donors: 2 H acceptors: 4 LogP: 2.96 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(nc(n1)C1CCCC1=O)Nc1cccc2c1cccc2
  • InChi: 1S/C18H17N5O/c19-17-21-16(13-8-4-10-15(13)24)22-18(23-17)20-14-9-3-6-11-5-1-2-7-12(11)14/h1-3,5-7,9,13H,4,8,10H2,(H3,19,20,21,22,23)
  • InChiKey: BQKRFZWEWZMHLD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-amino-6-(1-naphthylamino)-1,3,5-triazin-2-yl]cyclopentan-1-one
  • 2-[4-amino-6-(1-naphthylamino)-1,3,5-triazin-2-yl]-1-cyclopentanone
  • 2-[4-amino-6-(1-naphthylamino)-s-triazin-2-yl]cyclopentan-1-one
  • Oprea1_876899
  • BAS 04914335
  • STK042642
  • 2-[4-Amino-6-(naphthalen-1-ylamino)-[1,3,5]triazin-2-yl]-cyclopentanone
  • MLS000032364
  • SMR000013031

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
Schistosoma mansoni lamin 0.0055 0.2043 0.2848
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0567 0.079
Schistosoma mansoni transcription factor LCR-F1 0.0079 0.3068 0.4277
Schistosoma mansoni hypothetical protein 0.0174 0.7173 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0187 0.026
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0135 0.0188
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0567 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0187 0.0187
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0823 0.1148
Brugia malayi hypothetical protein 0.0009 0.0072 0.0072
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0187 0.0187
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0072 0.01
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0187 0.026
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0948 0.0948
Loa Loa (eye worm) Smad1 0.0016 0.0389 0.0389
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.2407 0.2407
Brugia malayi MH1 domain containing protein 0.0016 0.0389 0.0389
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0187 0.0248
Loa Loa (eye worm) transcription factor SMAD2 0.024 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0187 0.026
Loa Loa (eye worm) hypothetical protein 0.0012 0.0187 0.0187
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0187 0.026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1707 0.238
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0187 0.026
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0182 0.7528 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0072 0.0072
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0389 0.0542
Schistosoma mansoni Smad4 0.0016 0.0389 0.0542
Loa Loa (eye worm) hypothetical protein 0.0009 0.0072 0.0072
Brugia malayi Smad1 0.0016 0.0389 0.0389
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0823 0.1148
Loa Loa (eye worm) MH2 domain-containing protein 0.024 1 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0567 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0187 0.0187
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0187 0.0187
Echinococcus granulosus tar DNA binding protein 0.0063 0.2407 0.3356
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2407 0.3356
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0187 0.0187
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0072 0.01
Brugia malayi steroid hormone receptor 0.0012 0.0187 0.0187
Brugia malayi MH1 domain containing protein 0.0016 0.0389 0.0389
Schistosoma mansoni dishevelled 0.0009 0.0072 0.01
Brugia malayi MH1 domain containing protein 0.0009 0.0075 0.0075
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0187 0.026
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0389 0.0542
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0187 0.0187
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0187 0.026
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1707 0.1707
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0187 0.026
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0072 0.0072
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0072 0.01
Loa Loa (eye worm) hypothetical protein 0.0009 0.0075 0.0075
Schistosoma mansoni dep domain containing protein 0.0009 0.0072 0.01
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0135 0.1272
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0187 0.026
Echinococcus granulosus lamin dm0 0.0055 0.2043 0.2848
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0072 0.01
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0389 0.0389
Entamoeba histolytica hypothetical protein 0.0079 0.3068 1
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0072 0.01
Brugia malayi TAR-binding protein 0.0063 0.2407 0.2407
Loa Loa (eye worm) TAR-binding protein 0.0063 0.2407 0.2407
Echinococcus multilocularis Smad4 0.0016 0.0389 0.0542
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0567 0.079
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0389 0.0542
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.2043 0.2043
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.0012 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.001 0.0135 0.0135
Echinococcus multilocularis lamin 0.0055 0.2043 0.2848
Entamoeba histolytica recQ family helicase, putative 0.002 0.0567 0.1522
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0072 0.01
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0072 0.01
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0079 0.3068 0.4277
Entamoeba histolytica hypothetical protein 0.0079 0.3068 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0072 0.0072
Loa Loa (eye worm) RecQ helicase 0.002 0.0567 0.0567
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0135 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0187 0.026
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0187 0.026
Entamoeba histolytica hypothetical protein 0.0079 0.3068 1
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0187 0.026
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0187 0.026
Echinococcus multilocularis bloom syndrome protein 0.002 0.0567 0.079
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0948 0.0948
Brugia malayi DIX domain containing protein 0.0009 0.0072 0.0072
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0389 0.0542
Loa Loa (eye worm) hypothetical protein 0.002 0.0567 0.0567
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0567 0.0567
Loa Loa (eye worm) hypothetical protein 0.0012 0.0187 0.0187
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0187 0.026
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0187 0.026
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0567 0.0567
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0187 0.026
Loa Loa (eye worm) hypothetical protein 0.0012 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.0026 0.0823 0.0823
Schistosoma mansoni intermediate filament proteins 0.0055 0.2043 0.2848
Brugia malayi nuclear receptor NHR-88 0.0012 0.0187 0.0187
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0187 0.026
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2407 0.3356
Brugia malayi MH2 domain containing protein 0.0016 0.0389 0.0389
Brugia malayi hypothetical protein 0.0009 0.0072 0.0072
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0187 0.0187
Brugia malayi N-terminal motif family protein 0.0182 0.7528 0.7528
Onchocerca volvulus 0.0009 0.0072 0.0095
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0187 0.0187
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0187 0.0248
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1707 0.238
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0567 0.5
Schistosoma mansoni hypothetical protein 0.0079 0.3068 0.4277
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0187 0.0248
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0072 0.01
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0187 0.026
Echinococcus granulosus lamin 0.0055 0.2043 0.2848
Echinococcus multilocularis musashi 0.0055 0.2043 0.2848
Schistosoma mansoni smad 0.0016 0.0389 0.0542
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0187 0.0187
Brugia malayi MH2 domain containing protein 0.0016 0.0389 0.0389
Schistosoma mansoni smad1 5 8 and 0.0016 0.0389 0.0542
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0187 0.0187
Brugia malayi intermediate filament protein 0.0055 0.2043 0.2043
Onchocerca volvulus 0.0055 0.2043 0.2714
Onchocerca volvulus 0.0012 0.0187 0.0248
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0187 0.0187
Brugia malayi nuclear hormone receptor 0.0012 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.0009 0.0072 0.0072
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0072 0.0072
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0072 0.01
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0389 0.0542
Echinococcus multilocularis geminin 0.0174 0.7173 1
Loa Loa (eye worm) nuclear factor I 0.0009 0.0075 0.0075
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0072 0.01
Schistosoma mansoni dishevelled 0.0009 0.0072 0.01
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0187 0.026
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0567 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0187 0.0187
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2407 0.3356
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0187 0.0187
Schistosoma mansoni DNA helicase recq5 0.002 0.0567 0.079
Loa Loa (eye worm) hypothetical protein 0.0012 0.0187 0.0187
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0072 0.01
Brugia malayi RNA binding protein 0.0063 0.2407 0.2407
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0567 0.0567
Onchocerca volvulus 0.0055 0.2043 0.2714
Echinococcus granulosus geminin 0.0174 0.7173 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0187 0.0187
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1707 0.238
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2407 0.3356
Schistosoma mansoni smad1 5 8 and 0.0016 0.0389 0.0542
Loa Loa (eye worm) hypothetical protein 0.0025 0.078 0.078
Echinococcus multilocularis smad 0.0016 0.0389 0.0542
Loa Loa (eye worm) RNA binding protein 0.0063 0.2407 0.2407
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0567 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0187 0.026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1707 0.238
Brugia malayi ecdysteroid receptor 0.0012 0.0187 0.0187
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0187 0.026
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0567 1
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0135 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0187 0.026
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0187 0.0187
Echinococcus granulosus intermediate filament protein 0.0055 0.2043 0.2848
Loa Loa (eye worm) hypothetical protein 0.0012 0.0187 0.0187
Entamoeba histolytica hypothetical protein 0.0079 0.3068 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0187 0.026
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0079 0.3068 0.4277
Loa Loa (eye worm) hypothetical protein 0.0009 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0055 0.2043 0.2043
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0187 0.0187
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0187 0.0187
Echinococcus granulosus Smad4 0.0016 0.0389 0.0542
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0072 0.0095
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1707 0.1707
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0567 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0187 0.026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1707 0.238
Echinococcus multilocularis lamin dm0 0.0055 0.2043 0.2848
Echinococcus granulosus bloom syndrome protein 0.002 0.0567 0.079
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0187 0.026
Brugia malayi MH1 domain containing protein 0.0009 0.0075 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0187 0.0187
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0567 0.079
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0567 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.7528 0.7528
Entamoeba histolytica recQ family DNA helicase 0.001 0.0135 0.0058
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0187 0.026
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0187 0.0187
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0187 0.026
Schistosoma mansoni hypothetical protein 0.0174 0.7173 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0135 0.0135
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0118 0.0927
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0567 0.5
Loa Loa (eye worm) intermediate filament protein 0.0055 0.2043 0.2043
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0187 0.026
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.2407 0.2407
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.2043 0.2043
Schistosoma mansoni coup transcription factor 0.0012 0.0187 0.026
Schistosoma mansoni DNA helicase recq1 0.002 0.0567 0.079
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0187 0.0187
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1707 0.238
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0187 0.0187
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0072 0.0072
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0187 0.026
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0072 0.01
Brugia malayi hypothetical protein 0.0079 0.3068 0.3068
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0187 0.026
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0072 0.01
Loa Loa (eye worm) hypothetical protein 0.0012 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.0054 0.2 0.2
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0567 1
Schistosoma mansoni lamin 0.0055 0.2043 0.2848
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0187 0.0187
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0567 0.079
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0567 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0187 0.0187
Echinococcus multilocularis tar DNA binding protein 0.0063 0.2407 0.3356
Schistosoma mansoni smad1 5 8 and 0.0016 0.0389 0.0542
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0567 0.0567
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2407 0.3356
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0118 0.0164
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0025 0.078 0.078
Echinococcus granulosus smad 0.0016 0.0389 0.0542
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1707 0.238
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0187 0.0187

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 um PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Target. Inhibition of phosphatase activity by colorimetric assay of released free phosphate (BioMol green). Secondary Screen (Class of assay: confirmatory) 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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