Detailed information for compound 338284

Basic information

Technical information
  • TDR Targets ID: 338284
  • Name: 1-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-meth ylpropan-2-ol
  • MW: 256.303 | Formula: C14H16N4O
  • H donors: 2 H acceptors: 3 LogP: 1.23 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc2ccccc2c2c1ncn2CC(O)(C)C
  • InChi: 1S/C14H16N4O/c1-14(2,19)7-18-8-16-11-12(18)9-5-3-4-6-10(9)17-13(11)15/h3-6,8,19H,7H2,1-2H3,(H2,15,17)
  • InChiKey: CNBOKXFMODKQCT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methyl-propan-2-ol
  • 1-(4-amino-1-imidazo[4,5-c]quinolinyl)-2-methyl-2-propanol
  • 1-(4-azanylimidazo[4,5-c]quinolin-1-yl)-2-methyl-propan-2-ol
  • 4-amino-alpha,alpha-dimethyl-1H-imidazo(4,5-c)quinolin-1-ethanol
  • 1-(4-amino-1-imidazo[4,5-c]quinolinyl)-2-methylpropan-2-ol
  • 112668-45-8
  • 4-Amino-alpha,alpha-dimethyl-1H-imidazo(4,5-c)quinoline-1-ethanol
  • R 842
  • R-842
  • 1H-Imidazo(4,5-c)quinoline-1-ethanol, 4-amino-alpha,alpha-dimethyl-

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
Brugia malayi hypothetical protein 0.0072 0.0176 0.0469
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0487 0.1462 0.3792
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0129 0.035 0.0935
Brugia malayi beta-lactamase family protein 0.0037 0.0065 0.0174
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0065 0.0028
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0068 0.0103
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0129 0.035 0.0935
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0235 0.0626
Trypanosoma brucei prolyl oligopeptidase, putative 0.0487 0.1462 0.3792
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0176 0.0469
Trypanosoma cruzi oligopeptidase b 0.0487 0.1462 0.3792
Echinococcus multilocularis serotonin receptor 0.013 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.1226 0.3749 1
Loa Loa (eye worm) inositol-1 0.0037 0.0068 0.0182
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0129 0.035 0.0774
Loa Loa (eye worm) hypothetical protein 0.0037 0.0065 0.0174
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0235 0.0626
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0129 0.035 0.0935
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1226 0.3749 1
Echinococcus granulosus acylamino acid releasing enzyme 0.0129 0.035 0.0935
Echinococcus granulosus Dipeptidyl peptidase 9 0.0129 0.035 0.0935
Entamoeba histolytica hypothetical protein 0.0072 0.0176 0.381
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0129 0.035 1
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0487 0.1462 0.4267
Trypanosoma cruzi prolyl endopeptidase 0.1226 0.3749 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0235 0.0626
Echinococcus granulosus biogenic amine 5HT receptor 0.013 0.0356 0.095
Trypanosoma cruzi hypothetical protein, conserved 0.0129 0.035 0.0774
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0065 0.0028
Plasmodium falciparum peptidase, putative 0.0129 0.035 0.5
Echinococcus multilocularis prolyl endopeptidase 0.1226 0.3749 0.3749
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.1226 0.3749 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1226 0.3749 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0487 0.1462 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.1226 0.3749 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0068 0.0008
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0065 0.0174
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0065 0.0028
Mycobacterium leprae Probable lipase LipE 0.0037 0.0065 0.0066
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0129 0.035 0.0935
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.0333 0.0889
Plasmodium vivax hypothetical protein, conserved 0.0129 0.035 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0068 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0068 0.0008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0235 0.0626
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0065 0.0028
Loa Loa (eye worm) hypothetical protein 0.013 0.0356 0.095
Mycobacterium tuberculosis Conserved protein 0.0037 0.0065 0.0028
Brugia malayi prolyl oligopeptidase family protein 0.0129 0.035 0.0935
Loa Loa (eye worm) hypothetical protein 0.0049 0.0103 0.0275
Toxoplasma gondii hypothetical protein 0.0129 0.035 0.0774
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0487 0.1462 0.3792
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0129 0.035 0.0935
Entamoeba histolytica prolyl oligopeptidase family protein 0.0129 0.035 1
Trypanosoma brucei oligopeptidase b 0.0487 0.1462 0.3792
Brugia malayi prolyl oligopeptidase family protein 0.0129 0.035 0.0935
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0129 0.035 0.0774
Leishmania major oligopeptidase b 0.0487 0.1462 0.3792
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0129 0.035 0.0774
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0068 0.0008
Mycobacterium tuberculosis Probable peptidase 0.0487 0.1462 0.4267
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0129 0.035 0.035
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.035 1
Trypanosoma brucei prolyl endopeptidase 0.1226 0.3749 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0129 0.035 0.0774
Loa Loa (eye worm) hypothetical protein 0.0037 0.0065 0.0174
Echinococcus granulosus prolyl endopeptidase 0.1226 0.3749 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0065 0.0174
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0065 0.0174
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0129 0.035 0.035
Echinococcus multilocularis acylamino acid releasing enzyme 0.0129 0.035 0.035
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0129 0.035 0.0774
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0129 0.035 0.0774
Brugia malayi beta-lactamase 0.0037 0.0065 0.0174
Schistosoma mansoni hypothetical protein 0.0033 0.0055 0.0148
Entamoeba histolytica hypothetical protein, conserved 0.0129 0.035 1
Brugia malayi prolyl oligopeptidase family protein 0.1226 0.3749 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0103 0.0275
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0103 0.0275
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0487 0.1462 0.3792
Entamoeba histolytica prolyl oligopeptidase family protein 0.0129 0.035 1
Brugia malayi prolyl oligopeptidase family protein 0.0129 0.035 0.0935
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0129 0.035 0.0774
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0065 0.0174
Schistosoma mansoni inositol monophosphatase 0.0037 0.0068 0.0182
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0235 0.0626
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0129 0.035 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0065 0.0174
Giardia lamblia Alanyl dipeptidyl peptidase 0.0129 0.035 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.0129 0.035 0.0935
Schistosoma mansoni hypothetical protein 0.0072 0.0176 0.0469
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0068 0.0008
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0235 0.0235
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0129 0.035 1
Entamoeba histolytica hypothetical protein 0.0072 0.0176 0.381
Loa Loa (eye worm) hypothetical protein 0.0037 0.0065 0.0174
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0068 0.0068
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.0333 0.0889
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0065 0.0174
Brugia malayi Inositol-1 0.0037 0.0068 0.0182
Loa Loa (eye worm) prolyl oligopeptidase 0.0129 0.035 0.0935
Brugia malayi prolyl oligopeptidase family protein 0.0129 0.035 0.0935
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0129 0.035 0.0774
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0055 0.0148
Loa Loa (eye worm) hypothetical protein 0.013 0.0356 0.095
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0068 0.0021
Loa Loa (eye worm) hypothetical protein 0.0037 0.0065 0.0174
Trypanosoma cruzi oligopeptidase b 0.0487 0.1462 0.3792
Entamoeba histolytica prolyl oligopeptidase family protein 0.0129 0.035 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0065 0.0028
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0103 0.0275
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0065 0.0066
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.0676 0.188
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0487 0.1462 1
Entamoeba histolytica hypothetical protein 0.0072 0.0176 0.381
Mycobacterium tuberculosis Conserved protein 0.0037 0.0065 0.0028
Echinococcus multilocularis serotonin receptor 0.013 0.0356 0.0356
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0129 0.035 0.0774
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.1097 0.3351 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0176 0.0176
Entamoeba histolytica hypothetical protein 0.0072 0.0176 0.381
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0235 0.0235
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0068 0.0103
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0068 0.0008
Trypanosoma cruzi hypothetical protein, conserved 0.0129 0.035 0.0774
Loa Loa (eye worm) hypothetical protein 0.0129 0.035 0.0935
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0065 0.0028
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0068 0.0182
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0068 0.0103
Toxoplasma gondii prolyl endopeptidase 0.1226 0.3749 1
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0065 0.0028
Brugia malayi MH2 domain containing protein 0.0123 0.0333 0.0889
Schistosoma mansoni biogenic amine (5HT) receptor 0.013 0.0356 0.095
Loa Loa (eye worm) hypothetical protein 0.0033 0.0055 0.0148
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0235 0.0626
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0129 0.035 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0129 0.035 0.0935
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0065 0.0174
Schistosoma mansoni inositol monophosphatase 0.0037 0.0068 0.0182
Brugia malayi beta-lactamase family protein 0.0037 0.0065 0.0174
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0235 0.0626
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0065 0.0028
Giardia lamblia Alanyl dipeptidyl peptidase 0.0129 0.035 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0176 0.0469
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0487 0.1462 0.3792
Loa Loa (eye worm) beta-lactamase 0.0037 0.0065 0.0174

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 95 uM Agonist activity at human TLR7 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene assay ChEMBL. 22837811
EC50 (functional) > 270 uM Agonist activity at human TLR8 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene assay ChEMBL. 22837811
MEC (functional) = 0.5 ug ml-1 Minimum effective concentration required to induce interferon (IFN) production in human peripheral blood mononuclear cells (hPBMC) ChEMBL. 15887957

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

2 literature references were collected for this gene.

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