Detailed information for compound 141919

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 429.405 | Formula: C18H28N3O7P
  • H donors: 6 H acceptors: 7 LogP: -3.16 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(C[C@@H](C(=O)Nc1ccc(cc1)CP(=O)(O)O)NC(=O)[C@H](CCC(=O)O)N)C
  • InChi: 1S/C18H28N3O7P/c1-11(2)9-15(21-17(24)14(19)7-8-16(22)23)18(25)20-13-5-3-12(4-6-13)10-29(26,27)28/h3-6,11,14-15H,7-10,19H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)(H2,26,27,28)/t14-,15-/m0/s1
  • InChiKey: VXIFQFGUILACLB-GJZGRUSLSA-N  


Substructure search Similarity search

Network

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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
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0743 0.6697 1
Trypanosoma brucei DNA polymerase IV, putative 0.0035 0.0079 0.049
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.055 0.4897 0.4857
Brugia malayi Phospholipase A2 family protein 0.0387 0.3377 0.3377
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0743 0.6697 0.6697
Loa Loa (eye worm) hypothetical protein 0.0166 0.1312 0.1312
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0166 0.1312 0.5
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0166 0.1312 0.1243
Trypanosoma cruzi hypothetical protein, conserved 0.0166 0.1312 0.808
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0079 0.049
Trypanosoma brucei squalene monooxygenase, putative 0.0198 0.1605 1
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0193 0.1555 0.969
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.1096 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0079 0.049
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0079 0.049
Trypanosoma brucei hypothetical protein, conserved 0.0193 0.1555 0.969
Trypanosoma cruzi lanosterol synthase, putative 0.0166 0.1312 0.808
Loa Loa (eye worm) hypothetical protein 0.0969 0.8809 0.8809
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0743 0.6697 0.6198
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0743 0.6697 0.6697
Trypanosoma brucei unspecified product 0.0029 0.0027 0.0166
Trypanosoma cruzi hypothetical protein, conserved 0.0193 0.1555 0.9674
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.1555 0.1488
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.1096 1 1
Toxoplasma gondii hypothetical protein 0.0193 0.1555 0.0679
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0166 0.1312 0.1243
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0166 0.1312 0.1312
Giardia lamblia Rab geranylgeranyltransferase 0.0193 0.1555 0.0452
Mycobacterium ulcerans DNA polymerase IV 0.0035 0.0079 0.5
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0743 0.6697 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0205 0.1669 0.0411
Leishmania major squalene monooxygenase-like protein 0.0198 0.1605 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0079 0.049
Loa Loa (eye worm) hypothetical protein 0.0166 0.1312 0.1312
Onchocerca volvulus Phospholipase A2 homolog 0.0969 0.8809 1
Giardia lamblia Rab geranylgeranyltransferase 0.0743 0.6697 1
Trypanosoma brucei DNA polymerase IV, putative 0.0029 0.0027 0.0166
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0743 0.6697 0.6671
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0193 0.1555 0.0452
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0193 0.1555 0.9674
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0166 0.1312 0.1243
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0166 0.1312 0.1243
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0743 0.6697 0.6671
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0166 0.1312 0.1243
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0166 0.1312 0.1243
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0166 0.1312 0.1243
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0193 0.1555 0.1555
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0193 0.1555 0.1488
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0166 0.1312 0.1243
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0193 0.1555 0.1488
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0079 0.049
Trypanosoma cruzi squalene monooxygenase, putative 0.0198 0.1605 1
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0166 0.1312 0.1243
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0193 0.1555 0.9674
Mycobacterium ulcerans DNA polymerase IV 0.0035 0.0079 0.5
Loa Loa (eye worm) hypothetical protein 0.0743 0.6697 0.6697
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0743 0.6697 0.6198
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0079 0.049
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0193 0.1555 0.969
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0166 0.1312 0.1243
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 0.1555 0.1555
Onchocerca volvulus Phospholipase A2 homolog 0.0387 0.3377 0.2512
Loa Loa (eye worm) hypothetical protein 0.0387 0.3377 0.3377
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0193 0.1555 0.028
Trypanosoma cruzi hypothetical protein, conserved 0.0166 0.1312 0.808
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0743 0.6697 0.6671
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0166 0.1312 0.1243
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.1096 1 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.0166 0.1312 0.808
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0193 0.1555 0.8305
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0166 0.1312 0.1312
Trypanosoma cruzi lanosterol synthase, putative 0.0166 0.1312 0.808
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0079 0.049
Trypanosoma cruzi hypothetical protein, conserved 0.0193 0.1555 0.9674
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0079 0.049
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.1096 1 1
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0193 0.1555 0.1488
Toxoplasma gondii hypothetical protein 0.055 0.4897 1
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.0166 0.1312 0.8174
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.1096 1 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0743 0.6697 0.6671
Trypanosoma brucei DNA polymerase IV, putative 0.0035 0.0079 0.049
Trypanosoma cruzi protein farnesyltransferase, putative 0.0166 0.1312 0.808
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0193 0.1555 0.969
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.1096 1 1
Trypanosoma cruzi squalene monooxygenase, putative 0.0198 0.1605 1
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0193 0.1555 0.9674
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.0166 0.1312 0.808
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.1096 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0079 0.049
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0166 0.1312 0.1312
Trypanosoma brucei lanosterol synthase 0.0166 0.1312 0.8174
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0193 0.1555 0.1488
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0193 0.1555 0.0452
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0743 0.6697 0.6671
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0166 0.1312 0.8174

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) NI 0 % Compound was tested for inhibitory activity against glutathionylspermidine synthetase in the presence of 5 mM glutathione and spermidine; Not inhibition ChEMBL. No reference

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

No literature references available for this target.

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