Detailed information for compound 1259483

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.499 | Formula: C21H33FN2
  • H donors: 0 H acceptors: 0 LogP: 6.02 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCn1cc(c2c1ccc(c2)F)CN(CC)CC
  • InChi: 1S/C21H33FN2/c1-4-7-8-9-10-11-14-24-17-18(16-23(5-2)6-3)20-15-19(22)12-13-21(20)24/h12-13,15,17H,4-11,14,16H2,1-3H3
  • InChiKey: SSNMQSSXTMNMQL-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
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 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
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
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
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
Trypanosoma brucei gambiense prenyl protein specific carboxyl methyltransferase 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
Entamoeba histolytica prenyl cysteine carboxyl 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
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
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
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

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
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0139 1 1
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0139 1 1
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0139 1 1
Brugia malayi hypothetical protein 0.0025 0.0711 0.0711
Loa Loa (eye worm) hypothetical protein 0.0025 0.0711 0.0528
Mycobacterium ulcerans hypothetical protein 0.0061 0.3636 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0711 0.0528
Schistosoma mansoni protein-s-isoprenylcysteine o-methyltransferase 0.0139 1 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.1786 0.1624
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.1786 0.1624
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.1786 0.1624
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0139 1 1
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.1786 0.1624
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.1463 0.3687
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0139 1 1
Plasmodium falciparum protein-S-isoprenylcysteine O-methyltransferase, putative 0.0139 1 1
Brugia malayi hypothetical protein 0.0074 0.4734 0.4734
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.1786 0.4626
Loa Loa (eye worm) inositol-1 0.0038 0.1786 0.1624
Brugia malayi Inositol-1 0.0038 0.1786 0.1786
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0711 0.0528
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0711 0.0528
Entamoeba histolytica hypothetical protein 0.0074 0.4734 0.463
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.1786 0.1624
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0194 0.0194
Loa Loa (eye worm) protein-S isoprenylcysteine O-methyltransferase 0.0139 1 1
Echinococcus multilocularis 0.0139 1 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.1786 0.1624
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.1463 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0711 0.0528
Entamoeba histolytica hypothetical protein 0.0074 0.4734 0.463
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.1786 0.1624
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0711 0.0528
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0139 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0711 0.0528
Schistosoma mansoni inositol monophosphatase 0.0038 0.1786 0.1624
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.1786 0.1624
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0139 1 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.1786 0.1624
Entamoeba histolytica hypothetical protein 0.0074 0.4734 0.463
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.1786 1
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0061 0.3636 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.4734 0.463
Echinococcus granulosus protein S isoprenylcysteine O methyltransferase 0.0139 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0194 0.5
Toxoplasma gondii isoprenylcysteine carboxyl methyltransferase (icmt) family protein 0.0139 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.1786 0.1624
Schistosoma mansoni hypothetical protein 0.0074 0.4734 0.463
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.1786 0.1624
Entamoeba histolytica hypothetical protein 0.0074 0.4734 0.463
Leishmania major hypothetical protein, conserved 0.0025 0.0711 0.0528
Plasmodium vivax protein-S-isoprenylcysteine O-methyltransferase, putative 0.0139 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0711 0.0528
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.4734 0.463
Trypanosoma brucei prenyl protein specific carboxyl methyltransferase 0.0139 1 1
Leishmania major prenyl protein specific carboxyl methyltransferase, putative 0.0139 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.4734 0.463
Giardia lamblia Isoprenylcysteine carboxyl methyltransferase 0.0139 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.1786 0.1624

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.1 uM Inhibition of recombinant ICMT expressed in Sf9 cells using [3H] AdoMet after 20 mins by scintillation counting ChEMBL. 20809634
IC50 (binding) = 4.42 uM Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-biotin-S-farnesyl-L-cysteine after 30 mins ChEMBL. 23514631
IC50 (functional) = 7.2 uM Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by colorimetric tetrazolium assay ChEMBL. 20809634
IC50 (functional) = 7.36 uM Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by MTT assay ChEMBL. 23514631

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20809634

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

2 literature references were collected for this gene.

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