Detailed information for compound 1089746

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 366.497 | Formula: C23H30N2O2
  • H donors: 2 H acceptors: 1 LogP: 4.15 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cccc(c1)NCCC1(CCOC(C1)(C)C)c1ccccc1
  • InChi: 1S/C23H30N2O2/c1-18(26)25-21-11-7-10-20(16-21)24-14-12-23(19-8-5-4-6-9-19)13-15-27-22(2,3)17-23/h4-11,16,24H,12-15,17H2,1-3H3,(H,25,26)
  • InChiKey: ONAJBEIVWPVZQQ-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
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
Trypanosoma cruzi prenyl protein specific carboxyl 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
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
Giardia lamblia Isoprenylcysteine carboxyl methyltransferase 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
Trypanosoma brucei gambiense prenyl protein specific carboxyl 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
Leishmania major prenyl protein specific carboxyl methyltransferase, putative Get druggable targets OG5_127842 All targets in OG5_127842
Echinococcus multilocularis 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 yoelii hypothetical protein 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 cruzi prenyl protein specific carboxyl 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
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
Trypanosoma brucei prenyl protein specific carboxyl methyltransferase 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
Plasmodium berghei protein-S-isoprenylcysteine O-methyltransferase, putative 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
Leishmania infantum prenyl protein specific carboxyl 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
Plasmodium vivax protein-S-isoprenylcysteine O-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
Entamoeba histolytica prenyl cysteine 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
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

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
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0139 0.7377 1
Echinococcus multilocularis pyruvate kinase 0.0033 0.1291 0.129
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.5397 0.5397
Schistosoma mansoni hypothetical protein 0.0048 0.2197 0.2587
Brugia malayi protein-S isoprenylcysteine O-methyltransferase, putative 0.0139 0.7377 0.7377
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.1516 0.1612
Brugia malayi Inositol-1 0.0036 0.1516 0.1516
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0139 0.7377 1
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0139 0.7377 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1436 0.1498
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.2197 0.2587
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1516 0.037
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0139 0.7377 1
Echinococcus multilocularis pyruvate kinase 0.0026 0.0901 0.0731
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.2197 0.1582
Loa Loa (eye worm) hypothetical protein 0.0048 0.2197 0.1582
Plasmodium vivax protein-S-isoprenylcysteine O-methyltransferase, putative 0.0139 0.7377 1
Echinococcus granulosus GPCR family 2 0.0048 0.2197 0.2587
Entamoeba histolytica hypothetical protein 0.0035 0.1436 0.1062
Plasmodium falciparum pyruvate kinase 0.0033 0.1291 0.129
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.1291 0.1291
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.1291 0.129
Schistosoma mansoni hypothetical protein 0.0048 0.2197 0.2587
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.1516 0.1612
Schistosoma mansoni inositol monophosphatase 0.0036 0.1516 0.1612
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.1516 0.1612
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.1436 0.1498
Loa Loa (eye worm) inositol-1 0.0036 0.1516 0.0847
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.2197 0.2587
Loa Loa (eye worm) hypothetical protein 0.0105 0.5397 0.5034
Entamoeba histolytica hypothetical protein 0.0035 0.1436 0.1062
Echinococcus multilocularis GPCR, family 2 0.0048 0.2197 0.2587
Giardia lamblia Isoprenylcysteine carboxyl methyltransferase 0.0139 0.7377 1
Schistosoma mansoni pyruvate kinase 0.0033 0.1291 0.129
Trypanosoma brucei prenyl protein specific carboxyl methyltransferase 0.0139 0.7377 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.1291 0.0604
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.1436 0.1498
Entamoeba histolytica hypothetical protein 0.0035 0.1436 0.1062
Echinococcus granulosus pyruvate kinase 0.0033 0.1291 0.129
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.1516 0.5
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.1299 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.2197 0.2197
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0139 0.7377 1
Schistosoma mansoni hypothetical protein 0.0048 0.2197 0.2587
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1516 0.037
Plasmodium vivax pyruvate kinase, putative 0.0033 0.1291 0.129
Echinococcus multilocularis pyruvate kinase 0.0033 0.1291 0.129
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.1299 0.0047
Brugia malayi hypothetical protein 0.0035 0.1436 0.1436
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1516 0.037
Echinococcus granulosus protein S isoprenylcysteine O methyltransferase 0.0139 0.7377 1
Schistosoma mansoni hypothetical protein 0.0035 0.1436 0.1498
Brugia malayi Latrophilin receptor protein 2 0.0048 0.2197 0.2197
Chlamydia trachomatis pyruvate kinase 0.0033 0.1291 0.5
Schistosoma mansoni pyruvate kinase 0.0033 0.1291 0.129
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1516 0.037
Echinococcus granulosus pyruvate kinase 0.0033 0.1291 0.129
Echinococcus multilocularis 0.0139 0.7377 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1516 0.037
Loa Loa (eye worm) pyruvate kinase 0.0033 0.1291 0.0604
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0061 0.2905 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.1516 0.037
Loa Loa (eye worm) pyruvate kinase 0.0033 0.1291 0.0604
Mycobacterium ulcerans hypothetical protein 0.0061 0.2905 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.1516 0.1395
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.8155 0.8009
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.2197 0.2587
Giardia lamblia Pyruvate kinase 0.0033 0.1291 0.129
Schistosoma mansoni protein-s-isoprenylcysteine o-methyltransferase 0.0139 0.7377 1
Entamoeba histolytica hypothetical protein 0.0035 0.1436 0.1062
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.2197 0.2587
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0139 0.7377 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.1516 0.1182
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.1291 0.1291
Loa Loa (eye worm) hypothetical protein 0.0186 1 1
Loa Loa (eye worm) pyruvate kinase 0.0033 0.1291 0.0604
Toxoplasma gondii isoprenylcysteine carboxyl methyltransferase (icmt) family protein 0.0139 0.7377 1
Plasmodium falciparum protein-S-isoprenylcysteine O-methyltransferase, putative 0.0139 0.7377 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0186 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.8155 0.8155
Loa Loa (eye worm) protein-S isoprenylcysteine O-methyltransferase 0.0139 0.7377 0.717
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.8155 0.8155
Loa Loa (eye worm) hypothetical protein 0.0153 0.8155 0.8009
Schistosoma mansoni hypothetical protein 0.0048 0.2197 0.2587
Schistosoma mansoni hypothetical protein 0.0105 0.5397 0.7167
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1516 0.037
Schistosoma mansoni inositol monophosphatase 0.0036 0.1516 0.1612
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0139 0.7377 1
Leishmania major prenyl protein specific carboxyl methyltransferase, putative 0.0139 0.7377 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.35 uM Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor substrate after 1 hr by fluorometric assay ChEMBL. 21661760

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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