Detailed information for compound 1444405

Basic information

Technical information
  • TDR Targets ID: 1444405
  • Name: N-cyclopentyl-2-(9-methyl-4-oxopyrido[2,1-d][ 1,3,5]triazin-2-yl)sulfanylacetamide
  • MW: 318.394 | Formula: C15H18N4O2S
  • H donors: 1 H acceptors: 2 LogP: 2.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CCCC1)CSc1nc(=O)n2c(n1)c(C)ccc2
  • InChi: 1S/C15H18N4O2S/c1-10-5-4-8-19-13(10)17-14(18-15(19)21)22-9-12(20)16-11-6-2-3-7-11/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,16,20)
  • InChiKey: DCYSABNJBVGJEA-UHFFFAOYSA-N  

Network

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Synonyms

  • N-cyclopentyl-2-(9-methyl-4-oxo-pyrido[2,1-d][1,3,5]triazin-2-yl)sulfanyl-acetamide
  • N-cyclopentyl-2-[(9-methyl-4-oxo-2-pyrido[2,1-d][1,3,5]triazinyl)thio]acetamide
  • N-cyclopentyl-2-[(4-keto-9-methyl-pyrido[2,1-d][1,3,5]triazin-2-yl)thio]acetamide
  • N-cyclopentyl-2-(9-methyl-4-oxo-pyrido[2,1-d][1,3,5]triazin-2-yl)sulfanyl-ethanamide
  • ZINC04504062

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0131 0.0429 0.0446
Brugia malayi nuclear receptor RXR 0.0069 0.0046 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0131 0.0429 0.0429
Echinococcus multilocularis geminin 0.0205 0.0888 0.162
Echinococcus granulosus geminin 0.0205 0.0888 0.1901
Onchocerca volvulus 0.0131 0.0429 0.4415
Echinococcus granulosus FTZ F1 alpha 0.0131 0.0429 0.0918
Loa Loa (eye worm) hypothetical protein 0.0069 0.0046 0.0048
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0131 0.0429 0.0446
Brugia malayi steroid hormone receptor 0.0131 0.0429 0.0429
Echinococcus granulosus ecdysone induced protein 78C 0.0131 0.0429 0.0918
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0131 0.0429 0.0918
Brugia malayi N-terminal motif family protein 0.0218 0.0971 0.0971
Loa Loa (eye worm) steroid hormone receptor 0.0131 0.0429 0.0446
Schistosoma mansoni RAR-like nuclear receptor 0.0131 0.0429 0.0782
Echinococcus multilocularis thyroid hormone receptor alpha 0.0945 0.5482 1
Schistosoma mansoni hypothetical protein 0.0205 0.0888 0.162
Brugia malayi Nuclear hormone receptor-like 1 0.161 0.9617 0.9617
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0131 0.0429 0.0429
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0131 0.0429 0.0429
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0131 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0131 0.0429 0.0446
Schistosoma mansoni coup transcription factor 0.0131 0.0429 0.0782
Loa Loa (eye worm) hypothetical protein 0.0069 0.0046 0.0048
Schistosoma mansoni thyroid hormone receptor 0.0945 0.5482 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0069 0.0046 0.0084
Loa Loa (eye worm) hypothetical protein 0.0131 0.0429 0.0446
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0131 0.0429 0.0446
Schistosoma mansoni nuclear hormone receptor 0.0131 0.0429 0.0782
Schistosoma mansoni hypothetical protein 0.0205 0.0888 0.162
Loa Loa (eye worm) hypothetical protein 0.0218 0.0971 0.101
Brugia malayi hypothetical protein 0.0069 0.0046 0.0046
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0131 0.0429 0.0782
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0131 0.0429 0.0429
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0131 0.0429 0.0782
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0131 0.0429 0.0429
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0131 0.0429 0.0782
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0131 0.0429 0.0918
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.161 0.9617 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0814 0.4671 0.852
Brugia malayi Steroid receptor seven-up type 2 0.0131 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0131 0.0429 0.0446
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0131 0.0429 0.0782
Schistosoma mansoni thyroid hormone receptor 0.0945 0.5482 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0131 0.0429 0.0782
Loa Loa (eye worm) hypothetical protein 0.0131 0.0429 0.0446
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.0971 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.0429 0.0446
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0131 0.0429 0.0918
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0131 0.0429 0.0782
Brugia malayi nuclear hormone receptor 0.0131 0.0429 0.0429
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0131 0.0429 0.0782
Schistosoma mansoni steroid hormone receptor ad4bp 0.0131 0.0429 0.0782
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0131 0.0429 0.0429
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0131 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0131 0.0429 0.0446
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0131 0.0429 0.0446
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0131 0.0429 0.0446
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0069 0.0046 0.0098
Schistosoma mansoni hypothetical protein 0.0814 0.4671 0.852
Brugia malayi ecdysteroid receptor 0.0131 0.0429 0.0429
Brugia malayi nuclear receptor NHR-88 0.0131 0.0429 0.0429
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0131 0.0429 0.0782
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0131 0.0429 0.0429
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0131 0.0429 0.0429
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0131 0.0429 0.0782
Loa Loa (eye worm) hypothetical protein 0.0131 0.0429 0.0446
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0069 0.0046 0.0084
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0131 0.0429 0.0918
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0131 0.0429 0.0918
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0131 0.0429 0.0446
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0131 0.0429 0.0918
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0131 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0069 0.0046 0.0048
Echinococcus multilocularis FTZ F1 alpha 0.0131 0.0429 0.0782
Loa Loa (eye worm) hypothetical protein 0.0069 0.0046 0.0048
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0814 0.4671 1
Loa Loa (eye worm) hypothetical protein 0.1603 0.9571 0.9952
Onchocerca volvulus Bile acid receptor homolog 0.0131 0.0429 0.4415
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0131 0.0429 0.0918
Onchocerca volvulus Protein ultraspiracle homolog 0.0131 0.0429 0.4415
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0131 0.0429 0.0782
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0131 0.0429 0.0782
Loa Loa (eye worm) hypothetical protein 0.0069 0.0046 0.0048
Brugia malayi hypothetical protein 0.0069 0.0046 0.0046
Brugia malayi Nuclear hormone receptor-like 1 0.161 0.9617 0.9617
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0131 0.0429 0.0782
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0131 0.0429 0.0429
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0131 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0131 0.0429 0.0446
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0131 0.0429 0.4415
Echinococcus multilocularis ecdysone induced protein 78C 0.0131 0.0429 0.0782
Schistosoma mansoni retinoic acid receptor RXR 0.0131 0.0429 0.0782
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0131 0.0429 0.0446
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0069 0.0046 0.0084
Brugia malayi photoreceptor-specific nuclear receptor 0.0131 0.0429 0.0429

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (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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