Detailed information for compound 324181

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 377.33 | Formula: C16H27O6P2---
  • H donors: 0 H acceptors: 5 LogP: 2.18 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=C\COP(=O)(CP(=O)([O-])[O-])[O-])/CC/C=C(/CCC=C(C)C)\C
  • InChi: 1S/C16H30O6P2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-22-24(20,21)13-23(17,18)19/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,20,21)(H2,17,18,19)/p-3/b15-9+,16-11+
  • InChiKey: ROIDNMZVDQIXIS-XGGJEREUSA-K  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.088 0.088
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0099 0.2751 0.2751
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0811 0.5
Echinococcus multilocularis Immunoglobulin 0.0011 0.0063 0.0063
Giardia lamblia Rab geranylgeranyltransferase 0.0193 0.5624 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0034 0.0769 0.0769
Toxoplasma gondii hypothetical protein 0.0143 0.4091 0.8136
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.088 0.088
Loa Loa (eye worm) hypothetical protein 0.0036 0.0811 0.1345
Echinococcus multilocularis roundabout 2 0.0014 0.0152 0.0152
Echinococcus granulosus tyrosine protein kinase Lyn 0.0038 0.088 0.088
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0167 0.4843 1
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0099 0.2751 0.2751
Mycobacterium ulcerans lipase LipD 0.0036 0.0811 0.5
Echinococcus granulosus defective proboscis extension response 0.0011 0.0063 0.0063
Mycobacterium ulcerans hypothetical protein 0.0036 0.0811 0.5
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0167 0.4843 0.8427
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0811 0.0811
Echinococcus granulosus neuroglian 0.0014 0.0152 0.0152
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0099 0.2751 0.2751
Leishmania major protein farnesyltransferase alpha subunit, putative 0.005 0.1245 0.1076
Brugia malayi beta-lactamase family protein 0.0036 0.0811 0.1441
Echinococcus granulosus tyrosine protein kinase Blk 0.0034 0.0769 0.0769
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.005 0.1245 0.1186
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0.1245 1
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.005 0.1245 0.1245
Brugia malayi Immunoglobulin I-set domain containing protein 0.0102 0.284 0.505
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0038 0.088 0.088
Schistosoma mansoni nephrin 0.0014 0.0152 0.0152
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0193 0.5624 0.5624
Echinococcus granulosus roundabout 2 0.0014 0.0152 0.0152
Loa Loa (eye worm) TK protein kinase 0.0034 0.0769 0.127
Echinococcus granulosus tyrosine protein kinase HCK 0.0031 0.0656 0.0656
Schistosoma mansoni hypothetical protein 0.0336 1 1
Loa Loa (eye worm) SRC-1 0.0038 0.088 0.1469
Loa Loa (eye worm) TK protein kinase 0.0031 0.0656 0.1066
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.005 0.1245 0.0902
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0011 0.0063 0.0063
Mycobacterium ulcerans beta-lactamase 0.0036 0.0811 0.5
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.005 0.1245 0.2213
Trypanosoma brucei hypothetical protein, conserved 0.005 0.1245 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.6732 1
Plasmodium falciparum macrophage migration inhibitory factor 0.0167 0.4843 0.8216
Echinococcus granulosus tyrosine protein kinase Src64B 0.0038 0.088 0.088
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0.1245 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0038 0.088 0.088
Brugia malayi beta-lactamase 0.0036 0.0811 0.1441
Loa Loa (eye worm) hypothetical protein 0.0122 0.3451 0.6092
Echinococcus granulosus tyrosine protein kinase Src42A 0.0038 0.088 0.088
Loa Loa (eye worm) hypothetical protein 0.0036 0.0811 0.1345
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.005 0.1245 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0034 0.0769 0.0769
Onchocerca volvulus 0.005 0.1245 0.1644
Echinococcus granulosus fibroblast growth factor receptor 4 0.0099 0.2751 0.2751
Echinococcus multilocularis geminin 0.0336 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0127 0.0225
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.005 0.1245 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0014 0.0127 0.0115
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0038 0.088 0.088
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0193 0.5624 1
Toxoplasma gondii hypothetical protein 0.005 0.1245 0.1076
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0011 0.0063 0.0063
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0167 0.4843 0.8595
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0034 0.0769 0.0769
Brugia malayi protein-tyrosine kinase 0.0034 0.0769 0.1368
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0193 0.5624 1
Brugia malayi hypothetical protein 0.0011 0.0063 0.0112
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.1245 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0193 0.5624 1
Schistosoma mansoni cell adhesion molecule 0.0011 0.0063 0.0063
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0.1245 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0038 0.088 0.088
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0811 0.0811
Echinococcus multilocularis neuroglian 0.0014 0.0152 0.0152
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0167 0.4843 0.8377
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0071 0.1901 0.3305
Echinococcus granulosus tyrosine protein kinase Fyn 0.0038 0.088 0.088
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0038 0.088 0.088
Leishmania major macrophage migration inhibitory factor-like protein 0.0167 0.4843 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0811 0.1345
Schistosoma mansoni tyrosine kinase 0.0099 0.2751 0.2751
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 0.5624 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0152 0.0161
Brugia malayi Fibronectin type III domain containing protein 0.0011 0.0063 0.0112
Loa Loa (eye worm) hypothetical protein 0.0036 0.0811 0.1345
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0143 0.4091 0.6816
Mycobacterium leprae Probable lipase LipE 0.0036 0.0811 0.5
Echinococcus granulosus Immunoglobulin 0.0011 0.0063 0.0063
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.088 0.088
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0032 0.0705 0.0705
Loa Loa (eye worm) hypothetical protein 0.0036 0.0811 0.1345
Echinococcus multilocularis tyrosine protein kinase HCK 0.0031 0.0656 0.0656
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.1245 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0193 0.5624 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0811 0.1441
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0071 0.1901 0.3305
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0167 0.4843 0.8377
Echinococcus granulosus protein prenyltransferase alpha subunit 0.005 0.1245 0.1245
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0038 0.088 0.088
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.005 0.1245 0.2125
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0038 0.088 0.088
Echinococcus granulosus twitchin 0.0014 0.0152 0.0152
Schistosoma mansoni hypothetical protein 0.0336 1 1
Echinococcus granulosus tyrosine kinase 0.0034 0.0769 0.0769
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.005 0.1245 0.0902
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0811 0.5
Schistosoma mansoni tyrosine kinase 0.0038 0.088 0.088
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.005 0.1245 0.1245
Brugia malayi beta-lactamase family protein 0.0036 0.0811 0.1441
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0193 0.5624 0.5624
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.005 0.1245 0.1245
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0063 0.0063
Echinococcus multilocularis Immunoglobulin 0.0011 0.0063 0.0063
Schistosoma mansoni vesicular amine transporter 0.0011 0.0063 0.0063
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.5624 1
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.005 0.1245 0.1245
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.0063 0.0112
Leishmania major macrophage migration inhibitory factor-like protein 0.0167 0.4843 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0811 0.1345
Onchocerca volvulus Huntingtin homolog 0.0122 0.3451 1
Loa Loa (eye worm) TK protein kinase 0.0102 0.284 0.4995
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0.1245 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.3451 0.6092
Brugia malayi Bm-MIF-1, identical 0.0167 0.4843 0.8611
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.5624 1
Schistosoma mansoni tyrosine kinase 0.0038 0.088 0.088
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0038 0.088 0.088
Loa Loa (eye worm) hypothetical protein 0.0036 0.0811 0.1345
Loa Loa (eye worm) beta-lactamase 0.0036 0.0811 0.1345
Echinococcus multilocularis tyrosine protein kinase Blk 0.0034 0.0769 0.0769
Echinococcus granulosus tyrosine protein kinase Src42A 0.0032 0.0705 0.0705
Loa Loa (eye worm) hypothetical protein 0.0014 0.0152 0.0161
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0193 0.5624 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0193 0.5624 0.5624
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 0.5624 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0038 0.088 0.088
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0811 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0811 0.0811
Brugia malayi SRC-1 0.0038 0.088 0.1565
Trichomonas vaginalis conserved hypothetical protein 0.0167 0.4843 0.8377
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0811 0.0811
Onchocerca volvulus Huntingtin homolog 0.0122 0.3451 1
Brugia malayi hypothetical protein 0.0122 0.3451 0.6136
Echinococcus granulosus tyrosine protein kinase Fyn 0.0038 0.088 0.088
Giardia lamblia Macrophage migration inhibitory factor 0.0167 0.4843 0.8216

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 160 nM Inhibition of Farnesyltransferase ChEMBL. 15341963
K cat (binding) = 0.06 s-1 Catalytic constant against Farnesyltransferase ChEMBL. 15341963
Km (binding) = 180 nM Michaelis-menton constant against Farnesyltransferase ChEMBL. 15341963
Ratio (binding) = 300000 1/Ms Ratio of Kcat to Km for farnesyltransferase ChEMBL. 15341963

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.