Detailed information for compound 819898

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 384.371 | Formula: C18H20F4N4O
  • H donors: 2 H acceptors: 2 LogP: 3.65 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C1CC(n2c(N1)c(cn2)C(=O)NC(C)(C)C)C(F)(F)F
  • InChi: 1S/C18H20F4N4O/c1-17(2,3)25-16(27)12-9-23-26-14(18(20,21)22)8-13(24-15(12)26)10-4-6-11(19)7-5-10/h4-7,9,13-14,24H,8H2,1-3H3,(H,25,27)
  • InChiKey: SDXLBUODBVJIRQ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723

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 lamin 0.0033 1 1
Brugia malayi Serotonin receptor 0.0031 0.8849 0.8849
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0032 0.9606 0.9606
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) TYRA-2 protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi neuropeptide F receptor 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi AKH receptor 0.0031 0.8849 0.8849
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0031 0.8849 0.8849
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Schistosoma mansoni lamin 0.0033 1 1
Brugia malayi RE15519p 0.0031 0.8849 0.8849
Brugia malayi G protein-coupled receptor F59B2.13 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi putative neuropeptide receptor NPR1 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) intermediate filament protein 0.0033 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi Dopamine receptor 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Onchocerca volvulus 0.0033 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0031 0.8849 0.8849
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) neuropeptide F receptor 0.0031 0.8849 0.8849
Loa Loa (eye worm) melatonin receptor type 1A 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi Serotonin receptor 0.0031 0.8849 0.8849
Echinococcus granulosus intermediate filament protein 0.0033 1 1
Schistosoma mansoni lamin 0.0033 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0031 0.8849 0.8849
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi G protein-coupled receptor 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Echinococcus multilocularis musashi 0.0033 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi Tachykinin-like peptides receptor 99D 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi GnHR receptor homolog 0.0031 0.8849 0.8849
Brugia malayi sulfakinin receptor protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi hypothetical protein 0.0031 0.8849 0.8849
Echinococcus granulosus lamin 0.0033 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi Melatonin receptor type 1A 0.0031 0.8849 0.8849
Brugia malayi hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Onchocerca volvulus 0.0033 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi follicle stimulating hormone receptor 0.0031 0.8849 0.8849
Brugia malayi hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi putative neuropeptide receptor 0.0031 0.8849 0.8849
Brugia malayi G-protein coupled receptor 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi G-protein coupled receptor 0.0031 0.8849 0.8849
Loa Loa (eye worm) G-protein coupled receptor 0.0031 0.8849 0.8849
Schistosoma mansoni intermediate filament proteins 0.0033 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0031 0.8849 0.8849
Brugia malayi ORL1-like opioid receptor 0.0031 0.8849 0.8849
Echinococcus granulosus lamin dm0 0.0033 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi neuropeptide F receptor 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi Dopamine receptor protein 1 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) G-protein coupled receptor 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Echinococcus multilocularis lamin dm0 0.0033 1 1
Brugia malayi Dopamine receptor protein 2 0.0031 0.8849 0.8849
Brugia malayi larval opioid receptor 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Loa Loa (eye worm) hypothetical protein 0.0031 0.8849 0.8849
Brugia malayi hypothetical protein 0.0031 0.8849 0.8849

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0398 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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