Detailed information for compound 115505

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 291.412 | Formula: C15H21N3OS
  • H donors: 1 H acceptors: 1 LogP: 1.9 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CC(CCNC2CCC2)Oc2c(C1=S)cccn2
  • InChi: 1S/C15H21N3OS/c1-18-10-12(7-9-16-11-4-2-5-11)19-14-13(15(18)20)6-3-8-17-14/h3,6,8,11-12,16H,2,4-5,7,9-10H2,1H3
  • InChiKey: VKEASIOQFZGVBN-UHFFFAOYSA-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 high affinity choline transporter 1 0.041 0.8634 1
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0284 0.5658 0.5658
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0468 1 1
Echinococcus granulosus furin 0.0468 1 1
Schistosoma mansoni high-affinity choline transporter 0.041 0.8634 0.8634
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0111 0.1544 0.1544
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0261 0.5102 0.5102
Loa Loa (eye worm) hypothetical protein 0.0468 1 1
Loa Loa (eye worm) hypothetical protein 0.0184 0.3272 0.3272
Echinococcus granulosus Furin 1 0.0111 0.1544 0.1544
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0111 0.1544 0.1032
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0111 0.1544 0.1032
Echinococcus multilocularis 0.0377 0.7859 0.9102
Brugia malayi neuroendocrine convertase 1 precursor 0.0294 0.5886 0.5886
Loa Loa (eye worm) hypothetical protein 0.041 0.8634 0.8634
Giardia lamblia High cysteine membrane protein Group 2 0.0174 0.3043 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0111 0.1544 0.1032
Schistosoma mansoni hypothetical protein 0.0091 0.1071 0.1071
Brugia malayi celfurPC protein 0.0377 0.7859 0.7859
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0045 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0284 0.5658 1
Brugia malayi Nuclear hormone receptor-like 1 0.0266 0.5223 0.5223
Brugia malayi GH02984p 0.041 0.8634 0.8634
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0284 0.5658 0.6553
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0111 0.1544 0.1032
Schistosoma mansoni hypothetical protein 0.02 0.366 0.366
Echinococcus multilocularis neuroendocrine convertase 2 0.0294 0.5886 0.6818
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0111 0.1544 0.1032
Loa Loa (eye worm) hypothetical protein 0.026 0.5088 0.5088
Echinococcus granulosus neuroendocrine convertase 2 0.0294 0.5886 0.5886
Echinococcus multilocularis Furin 1 0.0111 0.1544 0.1789
Schistosoma mansoni hypothetical protein 0.02 0.366 0.366
Schistosoma mansoni hypothetical protein 0.0222 0.4172 0.4172
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0284 0.5658 1
Onchocerca volvulus 0.0045 0 0.5
Loa Loa (eye worm) endoprotease bli-4 0.0468 1 1
Schistosoma mansoni furin-1 (S08 family) 0.0204 0.3745 0.3745
Echinococcus granulosus geminin 0.02 0.366 0.366
Loa Loa (eye worm) proprotein convertase 2 0.0111 0.1544 0.1544
Brugia malayi Nuclear hormone receptor-like 1 0.0261 0.5102 0.5102
Echinococcus granulosus high affinity choline transporter 1 0.041 0.8634 0.8634
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0111 0.1544 0.1032
Brugia malayi Nuclear hormone receptor-like 1 0.0261 0.5102 0.5102
Echinococcus multilocularis geminin 0.02 0.366 0.424
Trypanosoma brucei RNA helicase, putative 0.0222 0.4172 0.5
Brugia malayi proprotein convertase 2 0.0294 0.5886 0.5886

Activities

Activity type Activity value Assay description Source Reference
Survival (functional) = 0 % Histamine induced lethality, at 30-min pretreatment time when 30 mg/kg compound was administered intra peritonially in guinea pigs ChEMBL. 2570152

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

1 literature reference was collected for this gene.

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