Detailed information for compound 273468

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 524.609 | Formula: C28H36N4O6
  • H donors: 4 H acceptors: 6 LogP: 3.02 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(CCC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NC(=O)CCN(CC)CC)CC
  • InChi: 1S/C28H36N4O6/c1-5-31(6-2)15-13-21(35)29-17-9-10-18(30-22(36)14-16-32(7-3)8-4)24-23(17)27(37)25-19(33)11-12-20(34)26(25)28(24)38/h9-12,33-34H,5-8,13-16H2,1-4H3,(H,29,35)(H,30,36)
  • InChiKey: YHXGQVGORGLCKZ-UHFFFAOYSA-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
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0204 0.3018 1
Trypanosoma brucei lanosterol synthase 0.0273 0.7828 1
Giardia lamblia Prenyltransferase 0.0204 0.3018 0.5
Chlamydia trachomatis glutamine binding protein 0.0219 0.4051 0.5
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0204 0.3018 0.3018
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0204 0.3018 0.3018
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0219 0.4051 0.5
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0204 0.3018 0.5
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0204 0.3018 1
Leishmania major lanosterol synthase, putative 0.0206 0.3124 1
Echinococcus multilocularis nmda type glutamate receptor 0.0305 1 1
Trypanosoma cruzi lanosterol synthase, putative 0.0273 0.7828 1
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0204 0.3018 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0204 0.3018 1
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0204 0.3018 1
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0204 0.3018 0.5
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0219 0.4051 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0305 1 1
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0204 0.3018 1
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0273 0.7828 1
Trypanosoma cruzi lanosterol synthase, putative 0.0273 0.7828 1
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0204 0.3018 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0219 0.4051 0.5
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0204 0.3018 1
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0204 0.3018 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0219 0.4051 0.5
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0204 0.3018 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0204 0.3018 1

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) = 0.1 uM Compound was tested for tumor cell growth inhibition against HL 60 cell line ChEMBL. No reference
ID50 (functional) = 0.1 uM Compound was tested for tumor cell growth inhibition against HL 60 cell line ChEMBL. No reference
ID50 (functional) = 3.14 uM Compound was tested for tumor cell growth inhibition against HeLa cell line ChEMBL. No reference
ID50 (functional) = 3.14 uM Compound was tested for tumor cell growth inhibition against HeLa cell line 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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