Detailed information for compound 1510008

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 510.667 | Formula: C24H34N2O6S2
  • H donors: 2 H acceptors: 6 LogP: 6.21 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: C/C(=C\CSC[C@@H](C(=O)O)NS(=O)(=O)c1cccc(c1)[N+](=O)[O-])/CC/C=C(/CCC=C(C)C)\C
  • InChi: 1S/C24H34N2O6S2/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-33-17-23(24(27)28)25-34(31,32)22-13-7-12-21(16-22)26(29)30/h7-8,10,12-14,16,23,25H,5-6,9,11,15,17H2,1-4H3,(H,27,28)/b19-10+,20-14+/t23-/m0/s1
  • InChiKey: OAPAKBQVPSZMLI-LWCIIODOSA-N  


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 isoprenylcysteine carboxyl methyltransferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Schistosoma mansoni protein-s-isoprenylcysteine o-methyltransferase Get druggable targets OG5_127842 All targets in OG5_127842
Toxoplasma gondii isoprenylcysteine carboxyl methyltransferase (icmt) family protein Get druggable targets OG5_127842 All targets in OG5_127842
Candida albicans one of two adjacent potential Isoprenylcysteine carboxyl methyltransferase genes similar to S. cerevisiae STE14 (YDR410C) involv Get druggable targets OG5_127842 All targets in OG5_127842
Loa Loa (eye worm) protein-S isoprenylcysteine O-methyltransferase Get druggable targets OG5_127842 All targets in OG5_127842
Leishmania major prenyl protein specific carboxyl methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Leishmania mexicana prenyl protein specific carboxyl methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Plasmodium knowlesi protein-S-isoprenylcysteine O-methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Plasmodium falciparum protein-S-isoprenylcysteine O-methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Leishmania donovani prenyl protein specific carboxyl methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Trypanosoma brucei gambiense prenyl protein specific carboxyl methyltransferase Get druggable targets OG5_127842 All targets in OG5_127842
Echinococcus multilocularis Get druggable targets OG5_127842 All targets in OG5_127842
Candida albicans one of two adjacent potential Isoprenylcysteine carboxyl methyltransferase genes similar to S. cerevisiae STE14 (YDR410C) involv Get druggable targets OG5_127842 All targets in OG5_127842
Candida albicans one of two adjacent potential Isoprenylcysteine carboxyl methyltransferase genes similar to S. cerevisiae STE14 (YDR410C) involv Get druggable targets OG5_127842 All targets in OG5_127842
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Trypanosoma brucei prenyl protein specific carboxyl methyltransferase Get druggable targets OG5_127842 All targets in OG5_127842
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Echinococcus granulosus protein S isoprenylcysteine O methyltransferase Get druggable targets OG5_127842 All targets in OG5_127842
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127842 All targets in OG5_127842
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Schistosoma japonicum ko:K00587 protein-S-isoprenylcysteine O-methyltransferase [EC2.1.1.100], putative Get druggable targets OG5_127842 All targets in OG5_127842
Leishmania braziliensis prenyl protein specific carboxyl methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Plasmodium vivax protein-S-isoprenylcysteine O-methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Leishmania infantum prenyl protein specific carboxyl methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Plasmodium berghei protein-S-isoprenylcysteine O-methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Brugia malayi protein-S isoprenylcysteine O-methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Giardia lamblia Isoprenylcysteine carboxyl methyltransferase Get druggable targets OG5_127842 All targets in OG5_127842
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 0.0033 0.1286 0.1286
Loa Loa (eye worm) hypothetical protein 0.0019 0.0122 0.0122
Brugia malayi nuclear receptor NHR-88 0.0033 0.1286 0.1286
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0033 0.1286 0.1286
Brugia malayi nuclear hormone receptor 0.0033 0.1286 0.1286
Schistosoma mansoni thyroid hormone receptor 0.0033 0.1286 0.1286
Schistosoma mansoni voltage-gated potassium channel 0.0088 0.5789 0.5789
Schistosoma mansoni thyroid hormone receptor 0.0033 0.1286 0.1286
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0033 0.1286 0.1286
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0033 0.1286 0.1286
Trypanosoma cruzi cytochrome P450, putative 0.0034 0.1379 0.0389
Schistosoma mansoni voltage-gated potassium channel 0.0023 0.0478 0.0478
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0081 0.518 0.518
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0033 0.1286 0.1286
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0023 0.0478 0.0478
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0081 0.518 0.518
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0033 0.1286 0.1286
Onchocerca volvulus 0.0033 0.1286 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0033 0.1286 0.1286
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0075 0.4745 0.4141
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0033 0.1286 0.1286
Loa Loa (eye worm) hypothetical protein 0.0033 0.1286 0.1286
Loa Loa (eye worm) hypothetical protein 0.0033 0.1286 0.1286
Brugia malayi Cytochrome P450 family protein 0.0034 0.1379 0.1379
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0033 0.1286 0.1286
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0081 0.518 0.518
Schistosoma mansoni voltage-gated potassium channel 0.0088 0.5789 0.5789
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.1286 0.1286
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0033 0.1286 0.1286
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0033 0.1286 0.1286
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.1379 0.1379
Loa Loa (eye worm) hypothetical protein 0.0033 0.1286 0.1286
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.1503 0.1503
Schistosoma mansoni steroid hormone receptor ad4bp 0.0033 0.1286 0.1286
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0033 0.1286 0.1286
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.1379 0.1379
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0023 0.0478 0.0478
Echinococcus multilocularis FTZ F1 alpha 0.0033 0.1286 0.1286
Brugia malayi Cytochrome P450 family protein 0.0036 0.1503 0.1503
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0033 0.1286 0.1286
Loa Loa (eye worm) hypothetical protein 0.0033 0.1286 0.1286
Loa Loa (eye worm) hypothetical protein 0.0033 0.1286 0.1286
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.1286 0.1286
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0033 0.1286 0.1286
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0033 0.1286 0.1286
Schistosoma mansoni RAR-like nuclear receptor 0.0033 0.1286 0.1286
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.1286 0.1286
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.1286 0.1286
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0033 0.1286 0.1286
Loa Loa (eye worm) steroid hormone receptor 0.0033 0.1286 0.1286
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0033 0.1286 0.1286
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0075 0.4745 0.4141
Echinococcus multilocularis voltage gated potassium channel 0.0023 0.0478 0.0478
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.1286 0.1286
Echinococcus granulosus voltage gated potassium channel 0.0023 0.0478 0.0478
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0033 0.1286 0.1286
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.1286 0.1286
Echinococcus multilocularis thyroid hormone receptor alpha 0.0033 0.1286 0.1286
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0033 0.1286 0.1286
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.1286 0.1286
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.1286 0.1286
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0033 0.1286 0.1286
Leishmania major cytochrome p450-like protein 0.0034 0.1379 0.0389
Trypanosoma cruzi cytochrome P450, putative 0.0034 0.1379 0.0389
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0033 0.1286 0.1286
Schistosoma mansoni hypothetical protein 0.003 0.103 0.103
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0033 0.1286 0.1286
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0033 0.1286 0.1286
Loa Loa (eye worm) CYP4Cod1 0.0034 0.1379 0.1379
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0033 0.1286 0.1286
Echinococcus granulosus ecdysone induced protein 78C 0.0033 0.1286 0.1286
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0023 0.0478 0.0478
Brugia malayi Steroid receptor seven-up type 2 0.0033 0.1286 0.1286
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0033 0.1286 0.1286
Brugia malayi Cytochrome P450 family protein 0.0034 0.1379 0.1379
Trypanosoma brucei cytochrome P450, putative 0.0034 0.1379 0.0389
Loa Loa (eye worm) hypothetical protein 0.0033 0.1286 0.1286
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0081 0.518 0.518
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0033 0.1286 0.1286
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0033 0.1286 0.1286
Loa Loa (eye worm) hypothetical protein 0.0023 0.0478 0.0478
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0033 0.1286 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.4306 0.4306
Schistosoma mansoni nuclear hormone receptor 0.0033 0.1286 0.1286
Mycobacterium ulcerans hypothetical protein 0.0061 0.3554 1
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.003 0.103 0.103
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.1286 0.1286
Schistosoma mansoni coup transcription factor 0.0033 0.1286 0.1286
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0033 0.1286 0.1286
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.1286 0.1286
Echinococcus multilocularis ecdysone induced protein 78C 0.0033 0.1286 0.1286
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0033 0.1286 0.1286
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.003 0.103 0.103
Schistosoma mansoni voltage-gated potassium channel 0.0023 0.0478 0.0478
Brugia malayi ecdysteroid receptor 0.0033 0.1286 0.1286
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.1286 0.1286
Echinococcus granulosus FTZ F1 alpha 0.0033 0.1286 0.1286
Onchocerca volvulus Bile acid receptor homolog 0.0033 0.1286 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0033 0.1286 0.1286
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0061 0.3554 0.5
Brugia malayi steroid hormone receptor 0.0033 0.1286 0.1286
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0033 0.1286 0.1286
Loa Loa (eye worm) hypothetical protein 0.0033 0.1286 0.1286
Onchocerca volvulus Protein ultraspiracle homolog 0.0033 0.1286 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0033 0.1286 0.1286

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 13.4 uM Inhibition of human ICMT incubated with N-Acetyl-S-farnesyl-L-cysteine substrate for 5 mins followed by addition of [14C]-SAM measured after 30 mins by liquid scintillation counting ChEMBL. 21334890
Inhibition (binding) > 55 % Inhibition of human ICMT at 10 uM incubated with N-Acetyl-S-farnesyl-L-cysteine substrate for 5 mins followed by addition of [14C]-SAM measured after 30 mins by liquid scintillation counting ChEMBL. 21334890

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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