Detailed information for compound 55282

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 507.411 | Formula: C27H24Cl2N4O2
  • H donors: 1 H acceptors: 2 LogP: 3.85 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)C(c1cncn1C)(c1ccc2c(c1)C(OCC(=O)N2C)c1cccc(c1)Cl)N
  • InChi: 1S/C27H24Cl2N4O2/c1-32-16-31-14-24(32)27(30,18-6-9-20(28)10-7-18)19-8-11-23-22(13-19)26(35-15-25(34)33(23)2)17-4-3-5-21(29)12-17/h3-14,16,26H,15,30H2,1-2H3
  • InChiKey: WAHSFNMXOHAFIQ-UHFFFAOYSA-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 farnesyltransferase, CAAX box, alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis protein prenyltransferase alpha subunit repeat domain containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus granulosus protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium vivax prenyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium hominis farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Schistosoma mansoni protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium berghei protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Giardia lamblia Rab geranylgeranyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Neospora caninum hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium falciparum protein farnesyltransferase subunit alpha Get druggable targets OG5_128459 All targets in OG5_128459
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium knowlesi protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, alpha [EC:2.5.1.58 2.5.1.59], putative Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium parvum farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus multilocularis protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Theileria parva hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
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
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0204 0.0816 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.048 0.4534 0.674
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.044 0.3995 0.5927
Echinococcus multilocularis tissue type plasminogen activator 0.028 0.184 0.1939
Echinococcus multilocularis prolyl endopeptidase 0.044 0.3995 0.5519
Loa Loa (eye worm) hypothetical protein 0.0193 0.0673 0.091
Brugia malayi prolyl oligopeptidase family protein 0.064 0.6693 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.0673 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0534 0.5268 0.7848
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.064 0.6693 1
Plasmodium falciparum cysteine repeat modular protein 1 0.028 0.184 1
Giardia lamblia Rab geranylgeranyltransferase 0.0193 0.0673 0.5
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0243 0.1342 0.1921
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.064 0.6693 1
Trypanosoma cruzi prolyl endopeptidase 0.044 0.3995 1
Leishmania major hypothetical protein, conserved 0.028 0.184 0.3219
Onchocerca volvulus 0.028 0.184 0.2672
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.064 0.6693 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0243 0.1342 0.1654
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0193 0.0673 1
Brugia malayi Kringle domain containing protein 0.028 0.184 0.2672
Loa Loa (eye worm) hypothetical protein 0.048 0.4534 0.674
Echinococcus granulosus tissue type plasminogen activator 0.028 0.184 0.1939
Echinococcus granulosus prolyl endopeptidase 0.044 0.3995 0.5519
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0243 0.1342 0.1342
Toxoplasma gondii prolyl endopeptidase 0.044 0.3995 0.3995
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0243 0.1342 0.1654
Loa Loa (eye worm) TK/ROR protein kinase 0.028 0.184 0.2672
Loa Loa (eye worm) hypothetical protein 0.0196 0.0718 0.0978
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0243 0.1342 0.1112
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0351 0.2803 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.064 0.6693 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.044 0.3995 0.5927
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0204 0.0816 0.5
Onchocerca volvulus 0.0196 0.0718 0.0978
Brugia malayi hypothetical protein 0.0154 0.015 0.012
Brugia malayi Trypsin family protein 0.048 0.4534 0.674
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0193 0.0673 0.091
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0243 0.1342 0.1654
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 0.0673 0.091
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0156 0.0182 0.0169
Loa Loa (eye worm) prolyl oligopeptidase 0.064 0.6693 1
Toxoplasma gondii kringle domain-containing protein 0.028 0.184 0.184
Toxoplasma gondii PAN domain-containing protein 0.0886 1 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 0.0673 0.5
Brugia malayi prolyl oligopeptidase family protein 0.044 0.3995 0.5927
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0243 0.1342 0.1654
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.044 0.3995 1
Brugia malayi Protein kinase domain containing protein 0.028 0.184 0.2672
Plasmodium vivax cysteine repeat modular protein 1, putative 0.028 0.184 1
Brugia malayi Muscle positioning protein 4 0.0196 0.0718 0.0978
Loa Loa (eye worm) hypothetical protein 0.0154 0.015 0.012
Brugia malayi prolyl oligopeptidase family protein 0.0243 0.1342 0.1921
Loa Loa (eye worm) hypothetical protein 0.044 0.3995 0.5927
Trypanosoma brucei prolyl endopeptidase 0.044 0.3995 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0243 0.1342 0.1112
Loa Loa (eye worm) hypothetical protein 0.048 0.4534 0.674
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0243 0.1342 0.1654
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0193 0.0673 0.091
Trypanosoma cruzi hypothetical protein, conserved 0.028 0.184 0.3219
Onchocerca volvulus 0.048 0.4534 0.674
Schistosoma mansoni hypothetical protein 0.028 0.184 0.2672
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.0673 1
Loa Loa (eye worm) hypothetical protein 0.028 0.184 0.2672
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.044 0.3995 0.5927
Onchocerca volvulus 0.0351 0.2802 0.4125

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 nM Inhibition of T24F1H-ras-transformation in NIH 3T3 cells (Not tested) ChEMBL. 12699751
IC50 (binding) 0 nM Inhibition of Geranylgeranylprotein transferase-I -catalyzed incorporation of [3H]-GGPP into biotin YRASNRSCAIL substrate (Not tested) ChEMBL. 12699751
IC50 (binding) = 48 nM Inhibition of farnesyl transferase at 0.1 uM ChEMBL. 12699751
IC50 (binding) = 48 nM Inhibition of farnesyl transferase at 0.1 uM ChEMBL. 12699751

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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