Detailed information for compound 1828760

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 884.046 | Formula: C48H62FN7O8
  • H donors: 4 H acceptors: 6 LogP: 7.09 Rotable bonds: 23
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)F)c1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)NC(=O)OC)NC(=O)OC)C
  • InChi: 1S/C48H62FN7O8/c1-7-29(3)41(52-47(61)63-5)45(59)54-27-9-11-39(54)43(57)50-34-19-13-31(14-20-34)37-25-26-38(56(37)36-23-17-33(49)18-24-36)32-15-21-35(22-16-32)51-44(58)40-12-10-28-55(40)46(60)42(30(4)8-2)53-48(62)64-6/h13-24,29-30,37-42H,7-12,25-28H2,1-6H3,(H,50,57)(H,51,58)(H,52,61)(H,53,62)/t29-,30-,37-,38-,39-,40-,41-,42-/m0/s1
  • InChiKey: FDCZVLGSQSSTBQ-MRPUBFQWSA-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
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0744 0.9296 0.5
Trypanosoma cruzi Valosin-containing protein, putative 0.0744 0.9296 1
Mycobacterium tuberculosis Putative conserved ATPase 0.0469 0.4505 0.5
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0784 1 0.5
Loa Loa (eye worm) hypothetical protein 0.046 0.4341 1
Loa Loa (eye worm) vesicle-fusing ATPase 0.046 0.4341 1
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0784 1 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0744 0.9296 0.9122
Echinococcus multilocularis presenilin 0.0603 0.6835 0.6057
Trypanosoma brucei Valosin-containing protein 0.0744 0.9296 1
Brugia malayi Presenilin family protein 0.0603 0.6835 1
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0603 0.6835 0.6057
Loa Loa (eye worm) VCP protein 0.0324 0.1975 0.4549
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0784 1 1
Brugia malayi valosin containing protein 0.046 0.4341 0.6351
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0744 0.9296 1
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.0324 0.1975 0.2889
Entamoeba histolytica cdc48-like protein, putative 0.0744 0.9296 1
Toxoplasma gondii cell division protein CDC48CY 0.0784 1 1
Mycobacterium ulcerans ATPase 0.0469 0.4505 0.5
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0784 1 1
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.0744 0.9296 1
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.0469 0.4505 0.4505
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0744 0.9296 1
Giardia lamblia AAA family ATPase 0.0469 0.4505 0.5
Brugia malayi vesicle-fusing ATPase 0.046 0.4341 0.6351
Toxoplasma gondii cell division protein CDC48AP 0.0469 0.4505 0.4505

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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