Detailed information for compound 923701

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 473.562 | Formula: C25H35N3O6
  • H donors: 0 H acceptors: 3 LogP: 2.18 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@@H](N1C[C@@H]2O[C@H]([C@H](C1=O)O2)C(=O)N1CCN(CC1)CCc1ccccc1)CC(C)C
  • InChi: 1S/C25H35N3O6/c1-17(2)15-19(25(31)32-3)28-16-20-33-21(22(34-20)24(28)30)23(29)27-13-11-26(12-14-27)10-9-18-7-5-4-6-8-18/h4-8,17,19-22H,9-16H2,1-3H3/t19-,20+,21+,22+/m0/s1
  • InChiKey: YNUFNAHVOHBRJS-DXBBTUNJSA-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
Loa Loa (eye worm) hypothetical protein 0.0031 0.3788 0.3788
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.1572 0.4151
Onchocerca volvulus 0.0031 0.3788 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.1572 0.5
Toxoplasma gondii exonuclease III APE 0.0022 0.1572 0.5
Echinococcus granulosus intermediate filament protein 0.0031 0.3788 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.1572 0.5
Loa Loa (eye worm) intermediate filament protein 0.0031 0.3788 0.3788
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0749 0.1977
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.1572 0.1572
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0749 0.1977
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.1572 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.1572 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.1572 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.1572 0.5
Echinococcus multilocularis lamin 0.0031 0.3788 1
Echinococcus granulosus GPCR family 2 0.0018 0.0749 0.1977
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0749 0.0375
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0749 0.0375
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.1572 0.5
Schistosoma mansoni ap endonuclease 0.0022 0.1572 0.1657
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.3788 0.3788
Echinococcus granulosus lamin dm0 0.0031 0.3788 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.1572 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0749 0.0749
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.5718 0.5545
Echinococcus multilocularis musashi 0.0031 0.3788 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.1572 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0749 0.1977
Onchocerca volvulus 0.0031 0.3788 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0749 0.0749
Brugia malayi intermediate filament protein 0.0031 0.3788 0.3537
Echinococcus multilocularis GPCR, family 2 0.0018 0.0749 0.1977
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.1572 0.4151
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.1572 0.1232
Schistosoma mansoni lamin 0.0031 0.3788 0.6116
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0749 0.1977
Schistosoma mansoni ap endonuclease 0.0022 0.1572 0.1657
Schistosoma mansoni intermediate filament proteins 0.0031 0.3788 0.6116
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.1572 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.1572 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.3788 0.3537
Schistosoma mansoni lamin 0.0031 0.3788 0.6116
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.1572 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.3654 0.3654
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.1572 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.1572 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 1 1
Echinococcus granulosus lamin 0.0031 0.3788 1
Schistosoma mansoni hypothetical protein 0.0039 0.5718 1
Echinococcus multilocularis lamin dm0 0.0031 0.3788 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.5718 0.5718

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 70 % Inhibition of HIV-1 protease using DABCYL-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated at 10 uM for 15 mins before substrate addition measured over 15 mins by fluorometric assay ChEMBL. 25042102

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

No literature references available for this target.

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