Detailed information for compound 1253221

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 432.641 | Formula: C29H40N2O
  • H donors: 0 H acceptors: 1 LogP: 7.47 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCn1cc(c2c1ccc(c2)c1cccc(c1)C)CC(=O)N(CC)CC
  • InChi: 1S/C29H40N2O/c1-5-8-9-10-11-12-18-31-22-26(21-29(32)30(6-2)7-3)27-20-25(16-17-28(27)31)24-15-13-14-23(4)19-24/h13-17,19-20,22H,5-12,18,21H2,1-4H3
  • InChiKey: ZJUOLZJBAOMEMI-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 isoprenylcysteine carboxyl methyltransferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii isoprenylcysteine carboxyl methyltransferase (icmt) family protein 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
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 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
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
Trichomonas vaginalis 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
Plasmodium knowlesi 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
Leishmania mexicana prenyl protein specific carboxyl 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
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
Echinococcus multilocularis 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
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, 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
Schistosoma japonicum ko:K00587 protein-S-isoprenylcysteine O-methyltransferase [EC2.1.1.100], putative 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
Trypanosoma brucei prenyl protein specific carboxyl methyltransferase 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
Plasmodium berghei 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 vivax protein-S-isoprenylcysteine O-methyltransferase, putative 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
Onchocerca volvulus 0.0034 0 0.5
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0139 1 0.5
Echinococcus granulosus protein S isoprenylcysteine O methyltransferase 0.0139 1 1
Onchocerca volvulus 0.0034 0 0.5
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0061 0.2523 0.5
Leishmania major prenyl protein specific carboxyl methyltransferase, putative 0.0139 1 0.5
Plasmodium vivax protein-S-isoprenylcysteine O-methyltransferase, putative 0.0139 1 0.5
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0139 1 1
Plasmodium falciparum protein-S-isoprenylcysteine O-methyltransferase, putative 0.0139 1 0.5
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0139 1 0.5
Loa Loa (eye worm) protein-S isoprenylcysteine O-methyltransferase 0.0139 1 1
Echinococcus multilocularis 0.0139 1 1
Giardia lamblia Isoprenylcysteine carboxyl methyltransferase 0.0139 1 0.5
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0139 1 0.5
Mycobacterium ulcerans hypothetical protein 0.0061 0.2523 0.5
Schistosoma mansoni protein-s-isoprenylcysteine o-methyltransferase 0.0139 1 1
Onchocerca volvulus 0.0034 0 0.5
Trypanosoma brucei prenyl protein specific carboxyl methyltransferase 0.0139 1 0.5
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0139 1 1
Onchocerca volvulus 0.0034 0 0.5
Onchocerca volvulus 0.0034 0 0.5
Onchocerca volvulus 0.0034 0 0.5
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0139 1 0.5
Toxoplasma gondii isoprenylcysteine carboxyl methyltransferase (icmt) family protein 0.0139 1 0.5
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0139 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.4 uM Inhibition of recombinant ICMT expressed in Sf9 cells using [3H] AdoMet after 20 mins by scintillation counting ChEMBL. 20809634
IC50 (functional) = 27 uM Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by colorimetric tetrazolium assay ChEMBL. 20809634

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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