Detailed information for compound 977133

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 516.515 | Formula: C25H27F3N6O3
  • H donors: 3 H acceptors: 3 LogP: 2.2 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccccc1CNC(=O)c1cc(nn1c1cccc2c1CN(C2)CNC(=O)[C@@H](N)C)C(F)(F)F
  • InChi: 1S/C25H27F3N6O3/c1-15(29)23(35)31-14-33-12-17-7-5-8-19(18(17)13-33)34-20(10-22(32-34)25(26,27)28)24(36)30-11-16-6-3-4-9-21(16)37-2/h3-10,15H,11-14,29H2,1-2H3,(H,30,36)(H,31,35)/t15-/m0/s1
  • InChiKey: KDOOOBMZRDBBAG-HNNXBMFYSA-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
Mus musculus coactivator-associated arginine methyltransferase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K05931 Arginine methyltransferase 4 [EC:2.1.1.125], putative Get druggable targets OG5_131706 All targets in OG5_131706
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 Get druggable targets OG5_131706 All targets in OG5_131706
Schistosoma mansoni protein arginine n-methyltransferase Get druggable targets OG5_131706 All targets in OG5_131706
Brugia malayi Carm1-pending protein Get druggable targets OG5_131706 All targets in OG5_131706
Neospora caninum Protein arginine methyltransferase, related Get druggable targets OG5_131706 All targets in OG5_131706
Loa Loa (eye worm) Carm1-pending protein Get druggable targets OG5_131706 All targets in OG5_131706
Echinococcus multilocularis histone arginine methyltransferase CARMER Get druggable targets OG5_131706 All targets in OG5_131706
Onchocerca volvulus Get druggable targets OG5_131706 All targets in OG5_131706
Echinococcus granulosus histone arginine methyltransferase CARMER Get druggable targets OG5_131706 All targets in OG5_131706

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
Loa Loa (eye worm) hypothetical protein 0.0061 0.099 0.2981
Schistosoma mansoni peroxidasin 0.0061 0.099 0.2809
Schistosoma mansoni protein arginine n-methyltransferase 0.0154 0.332 0.9422
Onchocerca volvulus Peroxidasin homolog 0.0061 0.099 0.3033
Loa Loa (eye worm) animal heme peroxidase 0.0061 0.099 0.2981
Schistosoma mansoni serine-rich repeat protein 0.0087 0.1647 0.4675
Loa Loa (eye worm) hypothetical protein 0.0061 0.099 0.2981
Brugia malayi hypothetical protein 0.0061 0.099 0.2981
Onchocerca volvulus 0.0061 0.099 0.3033
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0154 0.332 0.332
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0154 0.332 0.5
Echinococcus multilocularis expressed protein 0.042 1 1
Brugia malayi Animal haem peroxidase family protein 0.0061 0.099 0.2981
Entamoeba histolytica hypothetical protein 0.0022 0 0.5
Echinococcus granulosus voltage dependent calcium channel subunit 0.0169 0.3696 0.3696
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0022 0 0.5
Onchocerca volvulus Peroxidase homolog 0.0061 0.099 0.3033
Onchocerca volvulus Dual oxidase homolog 0.0061 0.099 0.3033
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0371 0.8776 0.8776
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0162 0.3523 1
Brugia malayi Animal haem peroxidase family protein 0.0061 0.099 0.2981
Brugia malayi Blistered cuticle protein 3 0.0061 0.099 0.2981
Echinococcus granulosus peroxidasin 0.0061 0.099 0.099
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0154 0.332 0.332
Loa Loa (eye worm) hypothetical protein 0.0027 0.0126 0.038
Loa Loa (eye worm) hypothetical protein 0.0061 0.099 0.2981
Loa Loa (eye worm) hypothetical protein 0.0061 0.099 0.2981
Loa Loa (eye worm) hypothetical protein 0.0075 0.1335 0.402
Loa Loa (eye worm) hypothetical protein 0.0061 0.099 0.2981
Loa Loa (eye worm) animal heme peroxidase 0.0061 0.099 0.2981
Loa Loa (eye worm) hypothetical protein 0.0061 0.099 0.2981
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0027 0.0126 0.038
Loa Loa (eye worm) hypothetical protein 0.0061 0.099 0.2981
Schistosoma mansoni hypothetical protein 0.0087 0.1647 0.4675
Brugia malayi Animal haem peroxidase family protein 0.0061 0.099 0.2981
Loa Loa (eye worm) animal heme peroxidase 0.0061 0.099 0.2981
Trichomonas vaginalis conserved hypothetical protein 0.0022 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0022 0 0.5
Onchocerca volvulus 0.0061 0.099 0.3033
Brugia malayi Animal haem peroxidase family protein 0.0061 0.099 0.2981
Loa Loa (eye worm) blistered cuticle protein 3 0.0061 0.099 0.2981
Loa Loa (eye worm) hypothetical protein 0.0061 0.099 0.2981
Entamoeba histolytica hypothetical protein 0.0022 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.099 0.2981
Entamoeba histolytica hypothetical protein 0.0022 0 0.5
Echinococcus granulosus voltage dependent calcium channel subunit 0.0371 0.8776 0.8776
Onchocerca volvulus Peroxidase homolog 0.0061 0.099 0.3033
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0097 0.0294
Loa Loa (eye worm) hypothetical protein 0.0061 0.099 0.2981
Onchocerca volvulus 0.014 0.2973 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0126 0.038
Trichomonas vaginalis conserved hypothetical protein 0.0022 0 0.5
Onchocerca volvulus Chorion peroxidase homolog 0.0061 0.099 0.3033
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0082 0.1508 0.4279
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0169 0.3696 0.3696
Loa Loa (eye worm) hypothetical protein 0.0061 0.099 0.2981
Trichomonas vaginalis conserved hypothetical protein 0.0022 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.099 0.2981
Onchocerca volvulus Peroxidasin homolog 0.0061 0.099 0.3033
Loa Loa (eye worm) hypothetical protein 0.0061 0.099 0.2981
Trichomonas vaginalis conserved hypothetical protein 0.0022 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.099 0.2981
Brugia malayi Cache domain containing protein 0.0075 0.1335 0.402
Brugia malayi Carm1-pending protein 0.0154 0.332 1
Brugia malayi Animal haem peroxidase family protein 0.0061 0.099 0.2981
Onchocerca volvulus 0.0061 0.099 0.3033
Brugia malayi Peroxidasin 0.0061 0.099 0.2981
Brugia malayi Cytochrome P450 family protein 0.0025 0.0097 0.0294
Trichomonas vaginalis conserved hypothetical protein 0.0022 0 0.5
Schistosoma mansoni peroxidasin 0.0061 0.099 0.2809
Loa Loa (eye worm) animal heme peroxidase 0.0061 0.099 0.2981
Loa Loa (eye worm) Carm1-pending protein 0.0154 0.332 1
Echinococcus multilocularis peroxidasin 0.0061 0.099 0.099

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 uM Inhibition of mouse recombinant his-tagged CARM1 expressed in Sf9 cells by histone methyltransferase assay ChEMBL. 19131248

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

1 literature reference was collected for this gene.

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