Detailed information for compound 309408

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 351.445 | Formula: C20H25N5O
  • H donors: 0 H acceptors: 4 LogP: 4.62 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1nnc(n1)c1cc(C)c(c(c1)C)OCCCCCc1cccnc1
  • InChi: 1S/C20H25N5O/c1-15-12-18(20-22-24-25(3)23-20)13-16(2)19(15)26-11-6-4-5-8-17-9-7-10-21-14-17/h7,9-10,12-14H,4-6,8,11H2,1-3H3
  • InChiKey: XONDTELHYJANTH-UHFFFAOYSA-N  


Substructure search Similarity search

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 granulosus puromycin sensitive aminopeptidase 0.005 0.0365 0.0238
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.018 0.1777 1
Plasmodium vivax hypothetical protein, conserved 0.0028 0.013 0.1229
Trypanosoma brucei Aminopeptidase M1, putative 0.005 0.0365 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.005 0.0365 0.0271
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.005 0.0365 0.0238
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.005 0.0365 1
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.013 0.0033
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.005 0.0365 1
Onchocerca volvulus 0.005 0.0365 0.1426
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0249 0.0121
Schistosoma mansoni hypothetical protein 0.0164 0.16 0.149
Onchocerca volvulus 0.005 0.0365 0.1426
Trypanosoma cruzi aminopeptidase, putative 0.005 0.0365 1
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0194 0.0065
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.005 0.0365 0.5
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0249 0.0121
Plasmodium falciparum M1-family alanyl aminopeptidase 0.005 0.0365 1
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.005 0.0365 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.005 0.0365 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0365 0.0271
Brugia malayi hypothetical protein 0.0431 0.4502 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.005 0.0365 0.0238
Echinococcus granulosus puromycin sensitive aminopeptidase 0.005 0.0365 0.0238
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.005 0.0365 0.0238
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.005 0.0365 0.0238
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.005 0.0365 1
Mycobacterium ulcerans aminopeptidase N PepN 0.005 0.0365 0.5
Brugia malayi N-terminal motif family protein 0.018 0.1777 0.3947
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0938 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.0825 0.0705
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.005 0.0365 0.5
Brugia malayi hypothetical protein 0.005 0.0365 0.081
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.005 0.0365 0.0238
Onchocerca volvulus 0.005 0.0365 0.1426
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.013 0.1229
Brugia malayi PHD-finger family protein 0.0028 0.013 0.0288
Brugia malayi Bromodomain containing protein 0.0028 0.013 0.0288
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0194 0.0098
Loa Loa (eye worm) hypothetical protein 0.005 0.0365 0.0271
Toxoplasma gondii aminopeptidase n, putative 0.005 0.0365 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.0825 0.0705
Loa Loa (eye worm) TATA binding protein associated factor 0.005 0.0365 0.0271
Echinococcus multilocularis aminopeptidase N 0.005 0.0365 0.0238
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.005 0.0365 0.0238
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.005 0.0365 1
Trypanosoma brucei Aminopeptidase M1, putative 0.005 0.0365 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.005 0.0365 0.0238
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.005 0.0365 0.0238
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.005 0.0365 1
Brugia malayi hypothetical protein 0.0025 0.0097 0.0215
Brugia malayi jmjC domain containing protein 0.0034 0.0194 0.0431
Brugia malayi Peptidase family M1 containing protein 0.005 0.0365 0.081
Loa Loa (eye worm) hypothetical protein 0.018 0.1777 0.1697
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.005 0.0365 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.005 0.0365 1
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0938 1 1
Brugia malayi TATA binding protein associated factor 0.005 0.0365 0.081
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0194 0.0065
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.005 0.0365 1
Toxoplasma gondii aminopeptidase N protein 0.005 0.0365 1
Brugia malayi jmjC domain containing protein 0.0092 0.0825 0.1832
Toxoplasma gondii aminopeptidase N, putative 0.005 0.0365 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.005 0.0365 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0348 0.0254
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.005 0.0365 0.0238
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0194 0.0065
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.005 0.0365 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.005 0.0365 0.0238
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0194 0.0065
Entamoeba histolytica aminopeptidase, putative 0.005 0.0365 0.5
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.005 0.0365 1
Giardia lamblia PHD finger protein 15 0.0028 0.013 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.005 0.0365 0.0238
Trypanosoma cruzi aminopeptidase, putative 0.005 0.0365 1
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0619 0.0496
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.013 0.1229
Brugia malayi Peptidase family M1 containing protein 0.005 0.0365 0.081
Loa Loa (eye worm) hypothetical protein 0.0028 0.013 0.0033
Mycobacterium ulcerans aminopeptidase N PepN 0.005 0.0365 0.5
Brugia malayi Peptidase family M1 containing protein 0.005 0.0365 0.081
Echinococcus granulosus geminin 0.0164 0.16 0.149
Trypanosoma brucei aminopeptidase, putative 0.005 0.0365 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.005 0.0365 1
Echinococcus granulosus aminopeptidase N 0.005 0.0365 0.0238
Echinococcus multilocularis geminin 0.0164 0.16 0.149
Echinococcus granulosus puromycin sensitive aminopeptidase 0.005 0.0365 0.0238
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0938 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.005 0.0365 0.0238
Loa Loa (eye worm) aminopeptidase N 0.005 0.0365 0.0271
Brugia malayi hypothetical protein 0.005 0.0365 0.081
Loa Loa (eye worm) hypothetical protein 0.005 0.0365 0.0271
Schistosoma mansoni hypothetical protein 0.0164 0.16 0.149
Plasmodium falciparum phd finger protein, putative 0.0028 0.013 0.1229
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.005 0.0365 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0455 0.0362
Schistosoma mansoni aminopeptidase A (M01 family) 0.005 0.0365 0.0238

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.03 uM Antirhinoviral activity of the compound against Human Rhinovirus R21 ChEMBL. No reference
MIC (functional) = 0.03 uM Antirhinoviral activity of the compound against Human Rhinovirus R89 ChEMBL. No reference
MIC (functional) = 0.04 uM Antirhinoviral activity of the compound against Human Rhinovirus R25 ChEMBL. No reference
MIC (functional) = 0.1 uM Antirhinoviral activity of the compound against Human Rhinovirus R1B ChEMBL. No reference
MIC (functional) = 0.17 uM Antirhinoviral activity of the compound against Human Rhinovirus R22 ChEMBL. No reference
MIC (functional) = 0.17 uM Antirhinoviral activity of the compound against Human Rhinovirus R30 ChEMBL. No reference
MIC (functional) = 0.2 uM Antirhinoviral activity of the compound against Human Rhinovirus R2 ChEMBL. No reference
MIC (functional) = 0.28 uM Antirhinoviral activity of the compound against Human Rhinovirus R1A ChEMBL. No reference
MIC (functional) = 0.37 uM Antirhinoviral activity of the compound against Human Rhinovirus R67 ChEMBL. No reference
MIC (functional) = 0.82 uM Antirhinoviral activity of the compound against Human Rhinovirus R6 ChEMBL. No reference
MIC (functional) = 1.05 uM Antirhinoviral activity of the compound against Human Rhinovirus R14 ChEMBL. No reference
MIC (functional) = 1.08 uM Antirhinoviral activity of the compound against Human Rhinovirus R86 ChEMBL. No reference
MIC (functional) = 1.25 uM Antirhinoviral activity of the compound against Human Rhinovirus R15 ChEMBL. No reference
MIC (functional) = 2.16 uM Antirhinoviral activity of the compound against Human Rhinovirus R41 ChEMBL. No reference
MIC (functional) = 2.28 uM Antirhinoviral activity of the compound against Human Rhinovirus R50 ChEMBL. No reference

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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