Detailed information for compound 343659
Basic information
Technical information
- TDR Targets ID: 343659
- Name: 2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phe nyl]carbamoyl]-4-fluorobenzamide
- MW: 395.175 | Formula: C15H9Cl2FN6O2
-
H donors: 3
H acceptors: 5
LogP: 3.49
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(NC(=O)c1ccc(cc1Cl)F)Nc1ccc(cc1Cl)c1n[nH]nn1
- InChi: 1S/C15H9Cl2FN6O2/c16-10-6-8(18)2-3-9(10)14(25)20-15(26)19-12-4-1-7(5-11(12)17)13-21-23-24-22-13/h1-6H,(H2,19,20,25,26)(H,21,22,23,24)
- InChiKey: CCAFTABFVHQSJG-UHFFFAOYSA-N
Network
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Synonyms
- 2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluoro-benzamide
- 2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)anilino]-oxomethyl]-4-fluorobenzamide
- 2-chloro-N-[[2-chloro-4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]carbamoyl]-4-fluoro-benzamide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | phosphorylase, glycogen, liver | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
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 | glycogen phosphorylase | 0.013 | 0.5038 | 0.5038 |
| Loa Loa (eye worm) | glycogen phosphorylase | 0.013 | 0.5038 | 0.5038 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor alpha subunit | 0.0213 | 1 | 1 |
| Echinococcus multilocularis | glycogen phosphorylase | 0.013 | 0.5038 | 0.5038 |
| Onchocerca volvulus | Glycogen phosphorylase homolog | 0.013 | 0.5038 | 0.5038 |
| Mycobacterium tuberculosis | Probable glycogen phosphorylase GlgP | 0.0056 | 0.0587 | 0.5 |
| Echinococcus granulosus | nicotinic acetylcholine receptor alpha subunit | 0.0213 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0213 | 1 | 1 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor a11 subunit | 0.0213 | 1 | 1 |
| Brugia malayi | carbohydrate phosphorylase | 0.013 | 0.5038 | 0.5038 |
| Onchocerca volvulus | Putative nachr subunit | 0.0213 | 1 | 1 |
| Schistosoma mansoni | glycogen phosphorylase | 0.0056 | 0.0587 | 0.1166 |
| Echinococcus granulosus | nicotinic acetylcholine receptor a11 subunit | 0.0213 | 1 | 1 |
| Loa Loa (eye worm) | nicotinic acetylcholine receptor alpha subunit | 0.0213 | 1 | 1 |
| Giardia lamblia | Glycogen phosphorylase | 0.013 | 0.5038 | 0.5 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor subunit alpha 8 | 0.0213 | 1 | 1 |
| Echinococcus granulosus | glycogen phosphorylase | 0.013 | 0.5038 | 0.5038 |
| Echinococcus granulosus | Glycosyl transferase family 35 | 0.013 | 0.5038 | 0.5038 |
| Echinococcus granulosus | nicotinic acetylcholine receptor subunit alpha 8 | 0.0213 | 1 | 1 |
| Echinococcus multilocularis | Glycosyl transferase, family 35 | 0.013 | 0.5038 | 0.5038 |
| Entamoeba histolytica | glycogen phosphorylase, putative | 0.013 | 0.5038 | 1 |
| Trichomonas vaginalis | glycogen phosphorylase, putative | 0.013 | 0.5038 | 0.5 |
| Entamoeba histolytica | glycogen phosphorylase, putative | 0.013 | 0.5038 | 1 |
| Schistosoma mansoni | glycogen phosphorylase | 0.013 | 0.5038 | 1 |
| Mycobacterium ulcerans | glycogen phosphorylase GlgP | 0.0056 | 0.0587 | 0.5 |
| Schistosoma mansoni | glycogen phosphorylase | 0.013 | 0.5038 | 1 |
| Trichomonas vaginalis | glycogen phosphorylase, putative | 0.013 | 0.5038 | 0.5 |
| Chlamydia trachomatis | glycogen phosphorylase | 0.013 | 0.5038 | 0.5 |
| Echinococcus multilocularis | glycogen phosphorylase | 0.013 | 0.5038 | 0.5038 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| -Log IC50 (binding) | = 6.72 | Logarithemic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 min at 25 degree C, pH 7.2 | ChEMBL. | 16190745 |
| IC50 (binding) | = 6.72 | Logarithemic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 min at 25 degree C, pH 7.2 | ChEMBL. | 16190745 |
| IC50 (binding) | = 190 nM | Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 degree C, pH 7.2 with compound dissolved in DMSO | ChEMBL. | 16190745 |
| IC50 (binding) | = 190 nM | Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 degree C, pH 7.2 with compound dissolved in DMSO | ChEMBL. | 16190745 |
| IC50 (functional) | = 4 uM | Inhibitory concentration against glucagon-induced glycogenolysis in rat primary hepatocytes upon incubation for 30 min at 37 degree C, pH 7.4 with compound dissolved in DMSO by 96-well plate assay | ChEMBL. | 16190745 |
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
- ChEMBL: CHEMBL198229
- PubChem: 11625371
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.