Detailed information for compound 146170

Basic information

Technical information
  • TDR Targets ID: 146170
  • Name: methyl 5-[(1-methyl-2-oxo-3H-imidazo[4,5-b]qu inolin-7-yl)oxy]pentanoate
  • MW: 329.35 | Formula: C17H19N3O4
  • H donors: 1 H acceptors: 4 LogP: 2.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CCCCOc1ccc2c(c1)cc1c(n2)nc(n1C)O
  • InChi: 1S/C17H19N3O4/c1-20-14-10-11-9-12(24-8-4-3-5-15(21)23-2)6-7-13(11)18-16(14)19-17(20)22/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19,22)
  • InChiKey: UVKKAWHFGLYGRN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(1-methyl-2-oxo-3H-imidazo[4,5-b]quinolin-7-yl)oxy]pentanoic acid methyl ester
  • 5-[(2-keto-1-methyl-3H-imidazo[4,5-b]quinolin-7-yl)oxy]valeric acid methyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens purinergic receptor P2Y, G-protein coupled, 12 Starlite/ChEMBL References
Homo sapiens phosphodiesterase 3B, cGMP-inhibited References
Homo sapiens phosphodiesterase 3A, cGMP-inhibited Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132613 All targets in OG5_132613
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132613 All targets in OG5_132613
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein Get druggable targets OG5_132613 All targets in OG5_132613
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
Schistosoma mansoni tar DNA-binding protein 0.0449 0.4032 0.6498
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0305 0.2552 0.6329
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0965 0.9354 0.9354
Schistosoma mansoni hypothetical protein 0.0305 0.2552 0.4113
Onchocerca volvulus 0.017 0.1154 0.5
Loa Loa (eye worm) hypothetical protein 0.0659 0.6206 0.6206
Brugia malayi TAR-binding protein 0.0449 0.4032 0.4032
Echinococcus multilocularis GPCR, family 2 0.0305 0.2552 0.6329
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0083 0.026 0.0644
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0083 0.026 0.0644
Brugia malayi Isocitrate dehydrogenase 0.0083 0.026 0.026
Schistosoma mansoni hypothetical protein 0.0305 0.2552 0.4113
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0083 0.026 0.0644
Brugia malayi hypothetical protein 0.017 0.1154 0.1154
Brugia malayi RNA recognition motif domain containing protein 0.0449 0.4032 0.4032
Schistosoma mansoni tar DNA-binding protein 0.0449 0.4032 0.6498
Schistosoma mansoni tar DNA-binding protein 0.0449 0.4032 0.6498
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0083 0.026 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0305 0.2552 0.6329
Brugia malayi isocitrate dehydrogenase 0.0083 0.026 0.026
Brugia malayi MH2 domain containing protein 0.0848 0.8152 0.8152
Brugia malayi Calcitonin receptor-like protein seb-1 0.0965 0.9354 0.9354
Brugia malayi RNA binding protein 0.0449 0.4032 0.4032
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0083 0.026 0.0644
Loa Loa (eye worm) RNA binding protein 0.0449 0.4032 0.4032
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0305 0.2552 0.6329
Schistosoma mansoni hypothetical protein 0.0659 0.6206 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0449 0.4032 0.4032
Loa Loa (eye worm) transcription factor SMAD2 0.0848 0.8152 0.8152
Echinococcus multilocularis tar DNA binding protein 0.0449 0.4032 1
Toxoplasma gondii isocitrate dehydrogenase 0.0083 0.026 1
Loa Loa (eye worm) hypothetical protein 0.1 0.972 0.972
Echinococcus multilocularis isocitrate dehydrogenase 0.0083 0.026 0.0644
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0083 0.026 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0965 0.9354 0.9354
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0083 0.026 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0083 0.026 1
Schistosoma mansoni tar DNA-binding protein 0.0449 0.4032 0.6498
Schistosoma mansoni tar DNA-binding protein 0.0449 0.4032 0.6498
Loa Loa (eye worm) hypothetical protein 0.0305 0.2552 0.2552
Brugia malayi Latrophilin receptor protein 2 0.0305 0.2552 0.2552
Loa Loa (eye worm) latrophilin receptor protein 2 0.0305 0.2552 0.2552
Loa Loa (eye worm) TAR-binding protein 0.0449 0.4032 0.4032
Brugia malayi hypothetical protein 0.0079 0.0219 0.0219
Loa Loa (eye worm) hypothetical protein 0.017 0.1154 0.1154
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0083 0.026 0.0418
Schistosoma mansoni hypothetical protein 0.0305 0.2552 0.4113
Loa Loa (eye worm) hypothetical protein 0.1027 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0083 0.026 1
Schistosoma mansoni hypothetical protein 0.0305 0.2552 0.4113
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0083 0.026 1
Echinococcus granulosus tar DNA binding protein 0.0449 0.4032 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0083 0.026 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0083 0.026 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0305 0.2552 0.6329
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0305 0.2552 0.2552
Brugia malayi latrophilin 2 splice variant baaae 0.0659 0.6206 0.6206
Loa Loa (eye worm) hypothetical protein 0.0965 0.9354 0.9354
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0083 0.026 1
Echinococcus granulosus GPCR family 2 0.0305 0.2552 0.6329
Loa Loa (eye worm) MH2 domain-containing protein 0.0848 0.8152 0.8152
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0083 0.026 0.0644
Loa Loa (eye worm) isocitrate dehydrogenase 0.0083 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0079 0.0219 0.0219

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) uM Inhibition of platelet aggregation using adenosine diphosphate (ADP) as activating agent in human platelet rich plasma PRP ChEMBL. 1321910
EC50 (functional) 0 uM Inhibition of platelet aggregation using adenosine diphosphate (ADP) as activating agent in human platelet rich plasma PRP ChEMBL. 1321910
EC50 (functional) = 0.61 uM Inhibition of platelet aggregation using collagen as activating agent in rabbit platelet rich plasma (PRP) ChEMBL. 1321910
EC50 (functional) = 9.11 uM Inhibition of platelet aggregation using Adenosine diphosphate (ADP) as activating agent in rabbit platelet rich plasma (PRP) ChEMBL. 1321910
EC50 (functional) = 9.11 uM Inhibition of platelet aggregation using Adenosine diphosphate (ADP) as activating agent in rabbit platelet rich plasma (PRP) ChEMBL. 1321910
IC50 (binding) = 5 uM Inhibition of human platelet PDE by inhibiting cyclic Adenosine monophosphate (cAMP) hydrolysis ChEMBL. 1321910
IC50 (binding) = 5 uM Inhibition of human platelet PDE by inhibiting cyclic Adenosine monophosphate (cAMP) hydrolysis ChEMBL. 1321910
IC50 (binding) = 100 uM Inhibition of human platelet PDE by inhibiting cyclic Guanosine monophosphate (cGMP) hydrolysis ChEMBL. 1321910
IC50 (binding) = 100 uM Inhibition of human platelet PDE by inhibiting cyclic Guanosine monophosphate (cGMP) hydrolysis ChEMBL. 1321910

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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