Detailed information for compound 1925780

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 543.315 | Formula: C20H13Cl2N6NaO5S
  • H donors: 3 H acceptors: 7 LogP: 5.16 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])Nc1nc(Cl)nc(n1)Cl.[Na+]
  • InChi: 1S/C20H14Cl2N6O5S.Na/c1-33-13-5-2-11(3-6-13)27-28-16-15(34(30,31)32)9-10-8-12(4-7-14(10)17(16)29)23-20-25-18(21)24-19(22)26-20;/h2-9,29H,1H3,(H,30,31,32)(H,23,24,25,26);/q;+1/p-1/b28-27+;
  • InChiKey: BZBNRRHPBNTVMD-RXQWRGDBSA-M  


Substructure search Similarity search

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
Homo sapiens protein arginine methyltransferase 8 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans hnRNP methyltransferase. Get druggable targets OG5_127422 All targets in OG5_127422
Cryptosporidium hominis ARF GAP-like zinc finger-containing protein (ZIGA2) Get druggable targets OG5_127422 All targets in OG5_127422
Brugia malayi Carm1-pending protein Get druggable targets OG5_131706 All targets in OG5_131706
Echinococcus granulosus protein arginine methyltransferase Get druggable targets OG5_127422 All targets in OG5_127422
Plasmodium vivax protein arginine N-methyltransferase 1, putative Get druggable targets OG5_127422 All targets in OG5_127422
Trichomonas vaginalis protein arginine N-methyltransferase, putative Get druggable targets OG5_127422 All targets in OG5_127422
Leishmania braziliensis arginine N-methyltransferase-like protein Get druggable targets OG5_127422 All targets in OG5_127422
Echinococcus granulosus protein arginine N methyltransferase 8 Get druggable targets OG5_127422 All targets in OG5_127422
Entamoeba histolytica arginine N-methyltransferase protein, putative Get druggable targets OG5_127422 All targets in OG5_127422
Echinococcus multilocularis protein arginine methyltransferase Get druggable targets OG5_127422 All targets in OG5_127422
Leishmania major arginine N-methyltransferase-like protein Get druggable targets OG5_127422 All targets in OG5_127422
Schistosoma mansoni protein arginine N-methyltransferase 1 Get druggable targets OG5_127422 All targets in OG5_127422
Trypanosoma congolense arginine N-methyltransferase, putative Get druggable targets OG5_127422 All targets in OG5_127422
Echinococcus multilocularis histone arginine methyltransferase CARMER Get druggable targets OG5_131706 All targets in OG5_131706
Neospora caninum hypothetical protein Get druggable targets OG5_127422 All targets in OG5_127422
Trypanosoma congolense arginine N-methyltransferase Get druggable targets OG5_127422 All targets in OG5_127422
Trypanosoma brucei gambiense arginine N-methyltransferase, putative Get druggable targets OG5_127422 All targets in OG5_127422
Candida albicans hnRNP methyltransferase. Get druggable targets OG5_127422 All targets in OG5_127422
Schistosoma mansoni protein arginine N-methyltransferase 1 Get druggable targets OG5_127422 All targets in OG5_127422
Trichomonas vaginalis protein arginine N-methyltransferase, putative Get druggable targets OG5_127422 All targets in OG5_127422
Loa Loa (eye worm) Carm1-pending protein Get druggable targets OG5_131706 All targets in OG5_131706
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit Get druggable targets OG5_127422 All targets in OG5_127422
Plasmodium falciparum protein arginine N-methyltransferase 1 Get druggable targets OG5_127422 All targets in OG5_127422
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127422 All targets in OG5_127422
Neospora caninum Protein arginine methyltransferase, related 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 hypothetical protein Get druggable targets OG5_127422 All targets in OG5_127422
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 Get druggable targets OG5_131706 All targets in OG5_131706
Theileria parva arginine N-methyltransferase, putative Get druggable targets OG5_127422 All targets in OG5_127422
Babesia bovis conserved hypothetical protein Get druggable targets OG5_127422 All targets in OG5_127422
Plasmodium yoelii probable protein arginine n-methyltransferase Get druggable targets OG5_127422 All targets in OG5_127422
Trypanosoma cruzi arginine N-methyltransferase, putative Get druggable targets OG5_127422 All targets in OG5_127422
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127422 All targets in OG5_127422
Toxoplasma gondii histone arginine methyltransferase PRMT1 Get druggable targets OG5_127422 All targets in OG5_127422
Leishmania mexicana arginine N-methyltransferase-like protein Get druggable targets OG5_127422 All targets in OG5_127422
Leishmania infantum arginine N-methyltransferase-like protein Get druggable targets OG5_127422 All targets in OG5_127422
Trichomonas vaginalis protein arginine N-methyltransferase, putative Get druggable targets OG5_127422 All targets in OG5_127422
Plasmodium knowlesi protein arginine N-methyltransferase 1, putative Get druggable targets OG5_127422 All targets in OG5_127422
Echinococcus granulosus histone arginine methyltransferase CARMER Get druggable targets OG5_131706 All targets in OG5_131706
Plasmodium berghei protein arginine N-methyltransferase 1, putative Get druggable targets OG5_127422 All targets in OG5_127422
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127422 All targets in OG5_127422
Cryptosporidium parvum arginine n-methyltransferase Get druggable targets OG5_127422 All targets in OG5_127422
Onchocerca volvulus Get druggable targets OG5_131706 All targets in OG5_131706
Leishmania donovani arginine N-methyltransferase-like protein Get druggable targets OG5_127422 All targets in OG5_127422
Schistosoma japonicum ko:K00599 prmt1; protein arginine methyltransferase 1 [EC:2.1.1.-], putative Get druggable targets OG5_127422 All targets in OG5_127422
Schistosoma mansoni protein arginine N-methyltransferase 1 Get druggable targets OG5_127422 All targets in OG5_127422
Trypanosoma cruzi arginine N-methyltransferase, putative Get druggable targets OG5_127422 All targets in OG5_127422
Echinococcus multilocularis protein arginine N methyltransferase 8 Get druggable targets OG5_127422 All targets in OG5_127422
Schistosoma japonicum ko:K05931 Arginine methyltransferase 4 [EC:2.1.1.125], putative Get druggable targets OG5_131706 All targets in OG5_131706
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 protein arginine methyltransferase 8 385 aa 345 aa 33.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0071 0 0.5
Onchocerca volvulus 0.014 0.6649 0.5
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0175 1 0.5
Entamoeba histolytica hypothetical protein 0.0071 0 0.5
Schistosoma mansoni protein arginine n-methyltransferase 0.0175 1 0.5
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0175 1 0.5
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0071 0 0.5
Loa Loa (eye worm) Carm1-pending protein 0.0175 1 1
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0071 0 0.5
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0175 1 0.5
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0071 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.6 uM Inhibition of recombinant human GST-tagged CARM1 ChEMBL. 25406853
IC50 (binding) = 4.2 uM Inhibition of recombinant human GST-tagged PRMT1 using GST-Npl3 as substrate ChEMBL. 25406853

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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