Detailed information for compound 208954

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 300.399 | Formula: C17H24N4O
  • H donors: 2 H acceptors: 1 LogP: 1.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCc1c[nH]c2c1cc(C[C@H]1CNC(=O)N1C)cc2)C
  • InChi: 1S/C17H24N4O/c1-20(2)7-6-13-10-18-16-5-4-12(9-15(13)16)8-14-11-19-17(22)21(14)3/h4-5,9-10,14,18H,6-8,11H2,1-3H3,(H,19,22)/t14-/m0/s1
  • InChiKey: OIDYXNYNUMGYDH-AWEZNQCLSA-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 Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0148 0.0311 0.0347
Brugia malayi hypothetical protein 0.0148 0.0311 0.0844
Schistosoma mansoni microtubule-associated protein tau 0.0532 0.397 0.3777
Echinococcus multilocularis microtubule associated protein 2 0.0532 0.397 1
Brugia malayi Peptidase family M1 containing protein 0.0148 0.0311 0.0844
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0148 0.0311 0.0783
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0148 0.0311 0.5
Loa Loa (eye worm) aminopeptidase N 0.0148 0.0311 0.0975
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0148 0.0311 0.0783
Trichomonas vaginalis glucosylceramidase, putative 0.0153 0.036 0.1027
Entamoeba histolytica aminopeptidase, putative 0.0148 0.0311 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0148 0.0311 0.0783
Echinococcus granulosus aminopeptidase N 0.0502 0.3686 0.9284
Trypanosoma cruzi Aminopeptidase M1, putative 0.0148 0.0311 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0148 0.0311 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0221 0.1011 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0148 0.0311 0.5
Mycobacterium ulcerans aminopeptidase N PepN 0.0148 0.0311 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0148 0.0311 0.0347
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0148 0.0311 0.5
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0212 0.0921 0.0629
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0221 0.1011 0.3167
Loa Loa (eye worm) peptidase family M1 containing protein 0.0406 0.2773 0.869
Trichomonas vaginalis glucosylceramidase, putative 0.0221 0.1011 1
Trichomonas vaginalis glucosylceramidase, putative 0.0221 0.1011 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0148 0.0311 0.0783
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0148 0.0311 0.0783
Loa Loa (eye worm) hypothetical protein 0.045 0.3191 1
Echinococcus granulosus microtubule associated protein 2 0.0532 0.397 1
Onchocerca volvulus 0.0502 0.3686 1
Echinococcus multilocularis aminopeptidase N 0.0502 0.3686 0.9284
Trypanosoma brucei Aminopeptidase M1, putative 0.0148 0.0311 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0221 0.1011 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0148 0.0311 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0221 0.1011 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0148 0.0311 0.5
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0148 0.0311 0.0783
Brugia malayi Peptidase family M1 containing protein 0.0502 0.3686 1
Trichomonas vaginalis glucosylceramidase, putative 0.0221 0.1011 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0148 0.0311 0.0783
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0148 0.0311 0.0783
Loa Loa (eye worm) hypothetical protein 0.0354 0.2278 0.7139
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0148 0.0311 0.0783
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0221 0.1011 0.2742
Trichomonas vaginalis glucosylceramidase, putative 0.0153 0.036 0.1027
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0148 0.0311 0.0783
Onchocerca volvulus 0.0148 0.0311 0.0074

Activities

Activity type Activity value Assay description Source Reference
Intrinsic activity (binding) = 1 The compound was tested for intrinsic activity against 5-HT1D receptor ChEMBL. 7658443
Intrinsic activity (binding) = 1 The compound was tested for intrinsic activity against 5-HT1D receptor ChEMBL. 7658443
p[A50] (binding) < 4.5 The compound was tested for binding affinity against 5-HT2A receptor ChEMBL. 7658443
p[A50] (binding) = 7 The compound was tested for binding affinity against 5-HT1D receptor ChEMBL. 7658443
p[A50] (binding) < 4.5 The compound was tested for binding affinity against 5-HT2A receptor ChEMBL. 7658443
p[A50] (binding) = 7 The compound was tested for binding affinity against 5-HT1D receptor ChEMBL. 7658443

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

1 literature reference was collected for this gene.

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