Detailed information for compound 1004092

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 603.588 | Formula: C28H25F4N5O4S
  • H donors: 3 H acceptors: 5 LogP: 3.05 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: NCCC(=O)NCc1cccc(c1)n1nc(cc1C(=O)Nc1ccc(cc1F)c1ccccc1S(=O)(=O)C)C(F)(F)F
  • InChi: 1S/C28H25F4N5O4S/c1-42(40,41)24-8-3-2-7-20(24)18-9-10-22(21(29)14-18)35-27(39)23-15-25(28(30,31)32)36-37(23)19-6-4-5-17(13-19)16-34-26(38)11-12-33/h2-10,13-15H,11-12,16,33H2,1H3,(H,34,38)(H,35,39)
  • InChiKey: PMPNMVPNCOKRPH-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 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
Echinococcus multilocularis histone arginine methyltransferase CARMER 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
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 Get druggable targets OG5_131706 All targets in OG5_131706
Onchocerca volvulus Get druggable targets OG5_131706 All targets in OG5_131706
Schistosoma japonicum ko:K05931 Arginine methyltransferase 4 [EC:2.1.1.125], putative 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
Schistosoma mansoni protein arginine n-methyltransferase 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
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 0.0053 0.1675 0.1675
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0735 0.0829
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0993 0.0969
Trichomonas vaginalis chromobox protein, putative 0.0074 0.3401 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1675 0.1416
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1317 0.1047
Echinococcus granulosus chromobox protein 1 0.0074 0.3401 0.24
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1675 0.1675
Loa Loa (eye worm) hypothetical protein 0.0036 0.0301 0.0301
Schistosoma mansoni chromobox protein 0.0074 0.3401 0.3196
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0993 0.1121
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.3401 0.3401
Onchocerca volvulus 0.014 0.8861 1
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0154 1 0.5
Echinococcus granulosus chromobox protein 1 0.0074 0.3401 0.24
Loa Loa (eye worm) Carm1-pending protein 0.0154 1 1
Echinococcus multilocularis chromobox protein 1 0.0074 0.3401 0.24
Trichomonas vaginalis chromobox protein, putative 0.0074 0.3401 1
Schistosoma mansoni chromobox protein 0.0074 0.3401 0.3196
Loa Loa (eye worm) hypothetical protein 0.0041 0.0735 0.0735
Brugia malayi Heterochromatin protein 1 0.0074 0.3401 0.3196
Schistosoma mansoni protein arginine n-methyltransferase 0.0154 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1675 0.1416
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1317 0.1047
Echinococcus multilocularis chromobox protein 1 0.0074 0.3401 0.24
Brugia malayi chromobox protein homolog 3 0.0041 0.0735 0.0447
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0154 1 1
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0993 0.0969
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1317 0.1317
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1317 0.1047
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0154 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1317 0.1047

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 16.9 uM Inhibition of human GST-tagged CARM1 by methylation assay ChEMBL. 18619839

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.