Detailed information for compound 1549072

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 728.781 | Formula: C40H42F2N4O7
  • H donors: 7 H acceptors: 7 LogP: 6.15 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 3
  • SMILES: Oc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)NC1CCCCC1)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)c1ccc(cc1F)F)Cc1ccc(cc1)O
  • InChi: 1S/C40H42F2N4O7/c41-27-12-19-32(33(42)23-27)37(50)44-35(21-25-8-15-30(48)16-9-25)39(52)46-36(22-26-10-17-31(49)18-11-26)40(53)45-34(20-24-6-13-29(47)14-7-24)38(51)43-28-4-2-1-3-5-28/h6-19,23,28,34-36,47-49H,1-5,20-22H2,(H,43,51)(H,44,50)(H,45,53)(H,46,52)/t34-,35-,36-/m0/s1
  • InChiKey: WUJFNCLYAHPEFL-KVBYWJEESA-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
Trichomonas vaginalis chromobox protein, putative 0.0125 0.0537 0.2025
Schistosoma mansoni replication factor A 1 rfa1 0.0352 0.265 0.3127
Trypanosoma brucei Replication factor A protein 1 0.0169 0.0942 0.5
Brugia malayi replication factor A 73 kDa subunit 0.0352 0.265 1
Trichomonas vaginalis chromobox protein, putative 0.0098 0.0282 0.1064
Trypanosoma cruzi Replication factor A protein 1 0.0169 0.0942 0.5
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0334 0.2488 0.939
Echinococcus granulosus chromobox protein 1 0.0125 0.0537 0.0537
Schistosoma mansoni chromobox protein 0.0125 0.0537 0.0633
Trichomonas vaginalis chromobox protein, putative 0.0125 0.0537 0.2025
Loa Loa (eye worm) heterochromatin protein 1 0.0125 0.0537 0.2025
Brugia malayi Protein cec-1. 0.0231 0.1527 0.5763
Echinococcus multilocularis chromobox protein 1 0.0125 0.0537 0.0537
Brugia malayi BRCA2 repeat family protein 0.0071 0.0032 0.0122
Echinococcus multilocularis chromobox protein 2 0.114 1 1
Entamoeba histolytica replication factor A protein 1, putative 0.0151 0.078 1
Toxoplasma gondii replication factor-a protein 1 (rpa1) subfamily protein 0.0169 0.0942 1
Brugia malayi chromobox protein homolog 3 0.0095 0.0255 0.0961
Toxoplasma gondii OB-fold nucleic acid binding domain-containing protein 0.0088 0.0194 0.206
Echinococcus granulosus replication protein A 70 kDa DNA binding 0.0352 0.265 0.265
Loa Loa (eye worm) BRCA2 repeat family protein 0.0071 0.0032 0.0122
Leishmania major replication factor A, 51kDa subunit, putative 0.0169 0.0942 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0095 0.0255 0.0961
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0098 0.0282 0.1223
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0095 0.0255 0.1105
Echinococcus granulosus chromobox protein 1 0.0125 0.0537 0.0537
Echinococcus multilocularis replication protein A 70 kDa DNA binding 0.0352 0.265 0.265
Plasmodium falciparum replication protein A1, large subunit 0.0169 0.0942 1
Trichomonas vaginalis chromobox protein, putative 0.0098 0.0282 0.1064
Loa Loa (eye worm) replication factor A 73 kDa subunit 0.0352 0.265 1
Plasmodium vivax replication protein A1, large subunit, putative 0.0169 0.0942 1
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0352 0.265 1
Echinococcus multilocularis chromobox protein 1 0.0125 0.0537 0.0537
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0352 0.265 1
Schistosoma mansoni chromobox protein 0.0976 0.8473 1
Loa Loa (eye worm) hypothetical protein 0.0231 0.1527 0.5763
Onchocerca volvulus Putative replication factor A 73 kDa subunit 0.0315 0.2305 1
Trichomonas vaginalis conserved hypothetical protein 0.0095 0.0255 0.0961
Brugia malayi Heterochromatin protein 1 0.0125 0.0537 0.2025
Schistosoma mansoni chromobox protein 0.0125 0.0537 0.0633
Loa Loa (eye worm) hypothetical protein 0.0095 0.0255 0.0961
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0169 0.0942 0.3555

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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