Detailed information for compound 20622
Basic information
Technical information
- TDR Targets ID: 20622
- Name: 2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]meth oxy]phenoxy]methyl]quinoline
- MW: 423.467 | Formula: C25H21N5O2
-
H donors: 1
H acceptors: 4
LogP: 4.66
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: n1[nH]nc(n1)Cc1ccccc1COc1ccc(cc1)OCc1ccc2c(n1)cccc2
- InChi: 1S/C25H21N5O2/c1-2-7-20(19(6-1)15-25-27-29-30-28-25)16-31-22-11-13-23(14-12-22)32-17-21-10-9-18-5-3-4-8-24(18)26-21/h1-14H,15-17H2,(H,27,28,29,30)
- InChiKey: JELDFLOBXROBFH-UHFFFAOYSA-N
Network
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Synonyms
- 2-[[4-[[2-(2H-1,2,3,4-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
- 2-[[4-[2-(2H-tetrazol-5-ylmethyl)benzyl]oxyphenoxy]methyl]quinoline
- RG 12525
- 120128-20-3
- 2-((4-((2-(1H-Tetrazol-5-ylmethyl)phenyl)methoxy)phenoxy)methyl)quinoline
- BRN 3573814
- Quinoline, 2-((4-((2-(1H-tetrazol-5-ylmethyl)phenyl)methoxy)phenoxy)methyl)-
- RG-12525
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | Curated by TDR Targets | References |
| Homo sapiens | cysteinyl leukotriene receptor 2 | Starlite/ChEMBL | References |
| Cavia porcellus | Cysteinyl leukotriene receptor 1 | Starlite/ChEMBL | References |
| Homo sapiens | cysteinyl leukotriene receptor 1 | References |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (functional) | = 7.5 | LTD4 induced broncho constriction (shift in dose response curve 2 hr following 800 mg oral dose) | ChEMBL. | 8709092 |
| Activity (functional) | = 7.5 | LTD4 induced broncho constriction (shift in dose response curve 2 hr following 800 mg oral dose) | ChEMBL. | 8709092 |
| ED50 (functional) | = 2.2 mg kg-1 | Oral activity expressed as effective dose in leukotriene mediated anaphylaxis assay in guinea pig | ChEMBL. | 2157010 |
| ED50 (functional) | = 2.2 mg kg-1 | The effective dose of the compound was tested for inhibition of anaphylactic death after oral administration | ChEMBL. | 1635053 |
| ED50 (functional) | = 4.9 mg kg-1 | Oral activity expressed as effective dose in LTD4-induced wheal assay in guinea pig | ChEMBL. | 2157010 |
| ED50 (functional) | = 5 mg kg-1 | The effective dose of the compound was tested for inhibition of LTD4-induced wheal formation after oral administration | ChEMBL. | 1635053 |
| IC50 (functional) | = 2.7 nM | Inhibition of LTC4-induced contractions from guinea pig peripheral lung strips | ChEMBL. | 2157010 |
| KB (functional) | = 2.7 nM | Compound was tested for spasmogenic activity of LTC4 on lung strips | ChEMBL. | 1635053 |
| KB (functional) | = 2.7 nM | Compound was tested for spasmogenic activity of LTD4 on lung strips | ChEMBL. | 1635053 |
| KB (functional) | = 2.7 nM | Compound was tested for spasmogenic activity of LTE4 on lung strips | ChEMBL. | 1635053 |
| KB (binding) | = 3 nM | Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM) at compound concentration of 1 uM | ChEMBL. | 2157010 |
| Kb (binding) | = 3 nM | Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM) at compound concentration of 1 uM | ChEMBL. | 2157010 |
| Ki (binding) | = 3 nM | Binding affinity against Cysteinyl leukotriene D4 receptor | ChEMBL. | 8709092 |
| Ki (binding) | = 3 nM | Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM) | ChEMBL. | 2157010 |
| Ki (binding) | = 3 nm | Binding affinity against LTD4 receptor in guinea pig lung membranes. | ChEMBL. | 1851845 |
| Ki (binding) | = 3 nM | Compound was evaluated for its ability to displace [3H]-LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lung membranes | ChEMBL. | 1849993 |
| Ki (functional) | = 3 nM | The compound was tested for inhibition of [3H]-LTD4 binding to lung membrane | ChEMBL. | 1635053 |
| Ki (binding) | = 3 nM | Binding affinity against Cysteinyl leukotriene D4 receptor | ChEMBL. | 8709092 |
| Ki (binding) | = 3 nM | Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM) | ChEMBL. | 2157010 |
| Ki (binding) | = 3 nm | Binding affinity against LTD4 receptor in guinea pig lung membranes. | ChEMBL. | 1851845 |
| Ki (binding) | = 3 nM | Compound was evaluated for its ability to displace [3H]-LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lung membranes | ChEMBL. | 1849993 |
| pA2 (functional) | = 8.4 | Compound was tested for LTD4 guinea pig trachea contraction. | ChEMBL. | 8709092 |
| pA2 (functional) | = 8.4 | Antagonistic activity against LTD4 induced contraction in guinea pig lung parenchymal strips | ChEMBL. | 1849993 |
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.
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
- Search by CAS
- ChEMBL: CHEMBL18518
- PubChem: 129044
Bibliographic References
5 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.