Detailed information for compound 452427

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 526.09 | Formula: C28H32ClN3O3S
  • H donors: 1 H acceptors: 3 LogP: 5.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(C1=NS(=O)(=O)N(C(=C1)c1ccc(c(c1)C)Cl)Cc1ccccc1)NC1C2(C)CCC(C1(C)C)C2
  • InChi: 1S/C28H32ClN3O3S/c1-18-14-20(10-11-22(18)29)24-15-23(31-36(34,35)32(24)17-19-8-6-5-7-9-19)25(33)30-26-27(2,3)21-12-13-28(26,4)16-21/h5-11,14-15,21,26H,12-13,16-17H2,1-4H3,(H,30,33)
  • InChiKey: UEJDQFXYGCNPMR-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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 furin-1 (S08 family) 0.0329 0.2513 0.4154
Giardia lamblia Furin precursor putative serine protease 0.017 0.0564 1
Loa Loa (eye worm) endoprotease bli-4 0.0617 0.6049 0.6049
Echinococcus granulosus rho-associated protein kinase 1 0.0302 0.2189 0.3619
Schistosoma mansoni serine/threonine protein kinase 0.0302 0.2189 0.3619
Echinococcus granulosus neuropeptide FF receptor 2 0.0248 0.1526 0.2522
Echinococcus multilocularis rho associated protein kinase 0.0302 0.2189 0.4765
Brugia malayi celfurPC protein 0.0471 0.4256 0.4256
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0202 0.096 0.3204
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0939 1 1
Echinococcus multilocularis Furin 1 0.0202 0.096 0.2089
Loa Loa (eye worm) hypothetical protein 0.0173 0.0601 0.0601
Brugia malayi proprotein convertase 2 0.0498 0.4595 0.4595
Onchocerca volvulus 0.0302 0.2189 1
Schistosoma mansoni hypothetical protein 0.0146 0.0274 0.0453
Echinococcus granulosus neuroendocrine convertase 2 0.0498 0.4595 0.7596
Brugia malayi Tachykinin-like peptides receptor 99D 0.0248 0.1526 0.1526
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0202 0.096 0.1587
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0202 0.096 0.3204
Echinococcus multilocularis 0.0471 0.4256 0.9263
Echinococcus multilocularis neuroendocrine convertase 2 0.0498 0.4595 1
Brugia malayi neuroendocrine convertase 1 precursor 0.0647 0.6425 0.6425
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.032 0.2414 0.5254
Loa Loa (eye worm) hypothetical protein 0.0617 0.6049 0.6049
Echinococcus granulosus Furin 1 0.0202 0.096 0.1587
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0617 0.6049 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0202 0.096 0.3204
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.017 0.0564 0.1353
Echinococcus granulosus furin 0.0617 0.6049 1
Loa Loa (eye worm) hypothetical protein 0.032 0.2406 0.2406
Brugia malayi endoprotease bli-4 precursor 0.0617 0.6049 0.6049
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0202 0.096 0.3204
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.017 0.0564 0.1353
Loa Loa (eye worm) proprotein convertase 2 0.0202 0.096 0.096
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.032 0.2414 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0202 0.096 0.3204
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0202 0.096 0.3204
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.032 0.2414 1
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.032 0.2414 0.3991
Echinococcus multilocularis neuropeptide FF receptor 2 0.0248 0.1526 0.332
Loa Loa (eye worm) hypothetical protein 0.0248 0.1526 0.1526

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.