Detailed information for compound 184534

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 525.761 | Formula: C30H55NO6
  • H donors: 4 H acceptors: 5 LogP: 6.93 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCC[C@@H]1OC(=O)CCCCCCCCCCCCCC/C=C(/CC[C@H]([C@H](C[C@@H](CNC1=O)O)O)O)\C
  • InChi: 1S/C30H55NO6/c1-3-17-28-30(36)31-23-25(32)22-27(34)26(33)21-20-24(2)18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-29(35)37-28/h18,25-28,32-34H,3-17,19-23H2,1-2H3,(H,31,36)/b24-18+/t25-,26+,27-,28-/m0/s1
  • InChiKey: SSUPHJQBFZQWJG-OTLKFKQESA-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
Schistosoma mansoni hemoglobinase (C13 family) 0.3143 1 1
Trichomonas vaginalis Clan CD, family C13, legumain-like cysteine peptidase 0.3143 1 0.5
Trichomonas vaginalis Clan CD, family C13, legumain-like cysteine peptidase 0.3143 1 0.5
Trichomonas vaginalis Clan CD, family C13, legumain-like cysteine peptidase 0.3143 1 0.5
Trichomonas vaginalis Clan CD, family C13, legumain-like cysteine peptidase 0.3143 1 0.5
Trichomonas vaginalis Clan CD, family C13, legumain-like cysteine peptidase 0.3143 1 0.5
Onchocerca volvulus Legumain homolog 0.3143 1 0.5
Schistosoma mansoni hemoglobinase (C13 family) 0.3143 1 1
Trichomonas vaginalis Clan CD, family C13, legumain-like cysteine peptidase 0.3143 1 0.5
Schistosoma mansoni family C13 non-peptidase homologue (C13 family) 0.3143 1 1
Trichomonas vaginalis Clan CD, family C13, legumain-like cysteine peptidase 0.3143 1 0.5
Loa Loa (eye worm) peptidase C13 family protein 0.3143 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antibacterial activity of the compound against Escherichia coli (ATCC NCTC 6571) at a concentration of 200 microg/mL; not active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Corynebacterium sp. (ATCC 68984) at a concentration of 200 microg/mL; Active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Pasteurella sp.(ATCC 67535) at a concentration of 200 microg/mL; Active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Pasteurella sp.(ATCC 67777) at a concentration of 200 microg/mL; not active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Pasteurella sp.(ATCC 69527) at a concentration of 200 microg/mL; not active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Pasteurella sp.(ATCC 71886) at a concentration of 200 microg/mL; not active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Pasteurella multocida (ATCC 61096) at a concentration of 200 microg/mL; not active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Pasteurella multocida (ATCC 63560) at a concentration of 200 microg/mL; not active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Actinomyces meyeri (ATCC 61789) at a concentration of 200 microg/mL; Active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Actinomyces sp.(ATCC 70710) at a concentration of 200 microg/mL; Active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Bacteroides bivus (ATCC 64362) at a concentration of 200 microg/mL; not active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Bacteroides buccae (ATCC 67792) at a concentration of 200 microg/mL; not active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Bacteroides capillosus (ATCC 60802) at a concentration of 200 microg/mL; not active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Bacteroides oralis (ATCC 72708) at a concentration of 200 microg/mL; not active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Bacteroides ovatus (ATCC 66640) at a concentration of 200 microg/mL; not active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Bacteroides uniformis (ATCC 62723) at a concentration of 200 microg/mL; not active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Fusobacterium mortiferum (ATCC 63425) at a concentration of 200 microg/mL; not active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Fusobacterium sp.(ATCC 74714) at a concentration of 200 microg/mL; not active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Propionibacterium sp.(ATCC 72661) at a concentration of 200 microg/mL; Active ChEMBL. 12565921
Activity (functional) NA 0 Antibacterial activity of the compound against Porphyromonas gingivalis sp.(ATCC D23C) at a concentration of 200 microg/mL ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Porphyromonas canoris (ATCC NCTC 12835) at a concentration of 200 microg/mL; Active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Porphyromonas canoris (ATCC NCTC 12836) at a concentration of 200 microg/mL; Active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Escherichia coli (ATCC NCTC 6571) at a concentration of 200 microg/mL; not active ChEMBL. 12565921
Activity (functional) 0 Antibacterial activity of the compound against Staphylococcus aureus (ATCC NCTC 6571) at a concentration of 200 microg/mL; not active ChEMBL. 12565921

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

1 literature reference was collected for this gene.

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