Detailed information for compound 1556602

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 492.567 | Formula: C27H32N4O5
  • H donors: 2 H acceptors: 4 LogP: 2.04 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@]1(CC)N[C@@H]([C@H]2[C@@H]1C(=O)N(C2=O)Cc1ccccc1)CN(C(=O)Nc1ccc(cc1)C)C
  • InChi: 1S/C27H32N4O5/c1-5-27(25(34)36-4)22-21(23(32)31(24(22)33)15-18-9-7-6-8-10-18)20(29-27)16-30(3)26(35)28-19-13-11-17(2)12-14-19/h6-14,20-22,29H,5,15-16H2,1-4H3,(H,28,35)/t20-,21+,22-,27-/m1/s1
  • InChiKey: LDLOKKAUWSBWFW-RSOWOKRSSA-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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1693 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1693 0.436
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0677 0.0713
Brugia malayi manba-prov protein 0.0077 0.2715 0.2858
Trichomonas vaginalis beta-galactosidase, putative 0.0239 1 1
Brugia malayi Beta-glucuronidase precursor 0.0221 0.9209 0.9693
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0677 0.0713
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1165 0.4799
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1693 1
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0677 0.0713
Brugia malayi intermediate filament protein 0.0032 0.0677 0.0713
Entamoeba histolytica beta-galactosidase, putative 0.0161 0.6503 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1693 1
Schistosoma mansoni hypothetical protein 0.0084 0.3007 1
Schistosoma mansoni hypothetical protein 0.0043 0.1165 0.2092
Loa Loa (eye worm) hypothetical protein 0.0032 0.0677 0.0713
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0228 0.95 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1165 0.4799
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1693 0.1782
Trichomonas vaginalis conserved hypothetical protein 0.0239 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1693 0.1782
Schistosoma mansoni beta-mannosidase 0.0077 0.2715 0.8749
Loa Loa (eye worm) beta-glucuronidase 0.0221 0.9209 0.9693
Loa Loa (eye worm) hypothetical protein 0.0032 0.0651 0.0685
Onchocerca volvulus 0.0032 0.0677 0.5
Loa Loa (eye worm) hypothetical protein 0.0144 0.5712 0.6013
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0228 0.95 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1693 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1693 0.436
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1165 0.2092
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1693 0.436
Brugia malayi hypothetical protein 0.0043 0.1165 0.1226
Onchocerca volvulus 0.0032 0.0677 0.5

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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