Detailed information for compound 1162781

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 546.7 | Formula: C32H42N4O4
  • H donors: 5 H acceptors: 4 LogP: 2.83 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H](CNC(CC(=O)N[C@@H](C(=O)N1CCC2(CC1)CCc1c2cccc1)Cc1c[nH]c2c1cccc2)(C)C)O
  • InChi: 1S/C32H42N4O4/c1-31(2,34-20-24(38)21-37)18-29(39)35-28(17-23-19-33-27-10-6-4-8-25(23)27)30(40)36-15-13-32(14-16-36)12-11-22-7-3-5-9-26(22)32/h3-10,19,24,28,33-34,37-38H,11-18,20-21H2,1-2H3,(H,35,39)/t24-,28+/m0/s1
  • InChiKey: FAKNJHZFHMANQT-RBJSKKJNSA-N  

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) nuclear hormone receptor family member nhr-1 0.0023 0.0378 0.0469
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.0378 0.0469
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0808 0.1003
Loa Loa (eye worm) hypothetical protein 0.0031 0.0808 0.1003
Echinococcus granulosus peptidase Clp S14 family 0.006 0.2406 0.2107
Loa Loa (eye worm) hypothetical protein 0.0091 0.416 0.5163
Schistosoma mansoni lamin 0.0031 0.0808 0.0447
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.0378 0.0469
Loa Loa (eye worm) hypothetical protein 0.0023 0.0378 0.0469
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.416 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.0378 0.0469
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.0378 0.0469
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.0378 0.0469
Brugia malayi nuclear hormone receptor 0.0023 0.0378 0.0469
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.0378 0.0469
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0378 0.0469
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0378 0.0469
Schistosoma mansoni thyroid hormone receptor 0.0169 0.85 0.8441
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0378 0.0469
Schistosoma mansoni hypothetical protein 0.0196 1 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0091 0.416 0.3931
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0378 0.0469
Loa Loa (eye worm) hypothetical protein 0.0023 0.0378 0.0469
Echinococcus multilocularis lamin dm0 0.0031 0.0808 0.0447
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.0378 0.0469
Brugia malayi steroid hormone receptor 0.0023 0.0378 0.0469
Loa Loa (eye worm) hypothetical protein 0.0161 0.8057 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0378 0.0469
Onchocerca volvulus 0.0031 0.0808 0.056
Brugia malayi nuclear receptor NHR-88 0.0023 0.0378 0.0469
Schistosoma mansoni peptidase Clp (S14 family) 0.0091 0.416 0.3931
Brugia malayi Probable ClpP-like protease 0.0091 0.416 0.5163
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0378 0.0469
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.416 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.0378 0.0469
Loa Loa (eye worm) hypothetical protein 0.0023 0.0378 0.0469
Echinococcus multilocularis peptidase Clp (S14 family) 0.006 0.2406 0.2107
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.0378 0.0469
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0091 0.416 0.5
Schistosoma mansoni lamin 0.0031 0.0808 0.0447
Onchocerca volvulus 0.0161 0.8057 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0776 0.0963
Echinococcus multilocularis lamin 0.0031 0.0808 0.0447
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0091 0.416 0.5
Echinococcus granulosus lamin 0.0031 0.0808 0.0447
Loa Loa (eye worm) hypothetical protein 0.0023 0.0378 0.0469
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0091 0.416 1
Schistosoma mansoni hypothetical protein 0.0145 0.719 0.7079
Schistosoma mansoni hypothetical protein 0.0196 1 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0091 0.416 0.3931
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.416 0.5
Schistosoma mansoni intermediate filament proteins 0.0031 0.0808 0.0447
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0378 0.0469
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.0378 0.0469
Loa Loa (eye worm) hypothetical protein 0.0023 0.0378 0.0469
Onchocerca volvulus 0.0031 0.0808 0.056
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.0378 0.0469
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.0378 0.0469
Brugia malayi hypothetical protein 0.0161 0.8057 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0091 0.416 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0091 0.416 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.0378 0.0469
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0145 0.719 0.7079
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.0378 0.0469
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.006 0.2406 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0378 0.0469
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.0378 0.0469
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.006 0.2406 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0378 0.0469
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0091 0.416 1
Echinococcus multilocularis musashi 0.0031 0.0808 0.0447
Echinococcus multilocularis thyroid hormone receptor alpha 0.0169 0.85 0.8441
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0091 0.416 1
Echinococcus granulosus lamin dm0 0.0031 0.0808 0.0447
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0808 0.1003
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.0378 0.0469
Brugia malayi intermediate filament protein 0.0031 0.0808 0.1003
Echinococcus granulosus intermediate filament protein 0.0031 0.0808 0.0447
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0145 0.719 0.7079
Echinococcus multilocularis geminin 0.0196 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0378 0.0469
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.416 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.006 0.2406 0.4744
Schistosoma mansoni thyroid hormone receptor 0.0169 0.85 0.8441
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0808 0.1003
Brugia malayi ecdysteroid receptor 0.0023 0.0378 0.0469

Activities

No activities found for this compound.

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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