Detailed information for compound 986881

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.419 | Formula: C19H23N5O
  • H donors: 0 H acceptors: 3 LogP: 2.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c(cc(n2)C)n1nnc(c1)CN1CCCCC1
  • InChi: 1S/C19H23N5O/c1-14-10-19(17-11-16(25-2)6-7-18(17)20-14)24-13-15(21-22-24)12-23-8-4-3-5-9-23/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
  • InChiKey: DDYKRJWLUCFOMQ-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
Loa Loa (eye worm) endoprotease bli-4 0.0439 0.399 0.399
Loa Loa (eye worm) hypothetical protein 0.014 0.0694 0.0694
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0104 0.03 0.1032
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0104 0.03 0.1032
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0242 0.1818 0.1818
Echinococcus multilocularis lysine specific histone demethylase 1A 0.014 0.0694 0.0848
Echinococcus granulosus neuroendocrine convertase 2 0.0276 0.2195 0.2682
Onchocerca volvulus CoRest homolog 0.0175 0.1078 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0104 0.03 0.1032
Brugia malayi SWIRM domain containing protein 0.0151 0.0824 0.0824
Loa Loa (eye worm) hypothetical protein 0.0986 1 1
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0104 0.03 0.0751
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0104 0.03 0.1032
Echinococcus granulosus Furin 1 0.0104 0.03 0.0366
Schistosoma mansoni hypothetical protein 0.0165 0.0977 0.2448
Loa Loa (eye worm) hypothetical protein 0.0175 0.1078 0.1078
Schistosoma mansoni furin-1 (S08 family) 0.0191 0.126 0.3158
Echinococcus multilocularis Furin 1 0.0104 0.03 0.0366
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.082 0.8182 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.014 0.0694 0.0848
Loa Loa (eye worm) hypothetical protein 0.0172 0.1054 0.1054
Echinococcus granulosus furin 0.0439 0.399 0.4877
Loa Loa (eye worm) hypothetical protein 0.0439 0.399 0.399
Brugia malayi endoprotease bli-4 precursor 0.0439 0.399 0.399
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.082 0.8182 1
Brugia malayi neuroendocrine convertase 1 precursor 0.0276 0.2195 0.2195
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0267 0.2095 1
Echinococcus multilocularis 0.0354 0.3055 0.3734
Brugia malayi latrophilin 2 splice variant baaae 0.0165 0.0977 0.0977
Loa Loa (eye worm) proprotein convertase 2 0.0104 0.03 0.03
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0267 0.2095 0.256
Loa Loa (eye worm) hypothetical protein 0.017 0.1024 0.1024
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0439 0.399 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0267 0.2095 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.0824 0.0824
Echinococcus multilocularis neuroendocrine convertase 2 0.0276 0.2195 0.2682
Brugia malayi Myb-like DNA-binding domain containing protein 0.017 0.1024 0.1024
Brugia malayi proprotein convertase 2 0.0276 0.2195 0.2195
Loa Loa (eye worm) hypothetical protein 0.014 0.0694 0.0694
Schistosoma mansoni hypothetical protein 0.0085 0.0093 0.0233
Schistosoma mansoni Lysine-specific histone demethylase 1 0.014 0.0694 0.1739
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0104 0.03 0.1032
Brugia malayi Calcitonin receptor-like protein seb-1 0.0242 0.1818 0.1818
Giardia lamblia High cysteine membrane protein Group 2 0.0163 0.0954 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.0977 0.0977
Brugia malayi celfurPC protein 0.0354 0.3055 0.3055
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0104 0.03 0.1032
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0267 0.2095 0.256

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 10 mm Antibacterial activity against Escherichia coli ATTC 25922 after 3 to 4 days by serial plate dilution method ChEMBL. 20542604
IZ (functional) = 10 mm Antifungal activity against Candida albicans after 3 to 4 days by serial plate dilution method ChEMBL. 20542604
MIC (functional) = 12.5 ug ml-1 Antifungal activity against Candida albicans after 3 to 4 days by serial plate dilution method ChEMBL. 20542604
MIC (functional) = 12.5 ug ml-1 Antibacterial activity against Escherichia coli ATTC 25922 after 3 to 4 days by serial plate dilution method ChEMBL. 20542604

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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