Detailed information for compound 1654647

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 584.533 | Formula: C33H33IN2
  • H donors: 0 H acceptors: 0 LogP: 9.4 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCC[N+]1=C(/C=C/C=c/2\n(CCCC)c3c4c2cccc4ccc3)c2c3c1cccc3ccc2.[I-]
  • InChi: 1S/C33H33N2.HI/c1-3-5-22-34-28(26-16-7-12-24-14-9-20-30(34)32(24)26)18-11-19-29-27-17-8-13-25-15-10-21-31(33(25)27)35(29)23-6-4-2;/h7-21H,3-6,22-23H2,1-2H3;1H/q+1;/p-1
  • InChiKey: XBOWLVSGVMTFQX-UHFFFAOYSA-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 protein arginine methyltransferase 8 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis protein arginine N methyltransferase 8 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
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit Get druggable targets OG5_127422 All targets in OG5_127422
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127422 All targets in OG5_127422
Neospora caninum hypothetical protein 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
Brugia malayi hypothetical protein Get druggable targets OG5_127422 All targets in OG5_127422
Candida albicans hnRNP 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
Plasmodium yoelii probable protein arginine n-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
Cryptosporidium hominis ARF GAP-like zinc finger-containing protein (ZIGA2) 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 granulosus protein arginine N methyltransferase 8 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
Trypanosoma cruzi arginine N-methyltransferase, putative 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
Trypanosoma congolense 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
Plasmodium berghei protein arginine N-methyltransferase 1, putative 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
Plasmodium yoelii hypothetical 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 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
Leishmania donovani arginine N-methyltransferase-like protein 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
Toxoplasma gondii histone arginine methyltransferase PRMT1 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
Babesia bovis conserved hypothetical protein 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
Theileria parva arginine N-methyltransferase, putative 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
Trichomonas vaginalis protein arginine N-methyltransferase, 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
Leishmania braziliensis 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
Echinococcus granulosus protein arginine methyltransferase Get druggable targets OG5_127422 All targets in OG5_127422
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
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.1367 1 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0093 0.0267 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0093 0.0267 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0093 0.0267 1
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0093 0.0267 0.5
Leishmania major pteridine reductase 1 0.0093 0.0267 0.5
Loa Loa (eye worm) retinol dehydrogenase 12 0.0093 0.0267 1
Onchocerca volvulus 0.0093 0.0267 0.5
Leishmania major oxidoreductase-like protein 0.0093 0.0267 0.5
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0093 0.0267 0.5
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.1367 1 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.1367 1 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0267 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.1367 1 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.1367 1 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0093 0.0267 1
Trypanosoma brucei oxidoreductase-like protein 0.0093 0.0267 1
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0093 0.0267 0.5
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0093 0.0267 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0093 0.0267 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0093 0.0267 0.5
Loa Loa (eye worm) oxidoreductase 0.0093 0.0267 1
Onchocerca volvulus 0.0093 0.0267 0.5
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.1367 1 1
Schistosoma mansoni dihydropteridine reductase 0.0093 0.0267 0.5
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0093 0.0267 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.1367 1 1
Trypanosoma brucei pteridine reductase 1 0.0093 0.0267 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0093 0.0267 1
Trichomonas vaginalis hypothetical protein 0.1367 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0093 0.0267 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0093 0.0267 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12 uM Inhibition of His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins by scintillation counting ChEMBL. 22749641

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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