Detailed information for compound 925017
Basic information
Technical information
- Name: Unnamed compound
- MW: 251.691 | Formula: C7H10ClN3O3S
-
H donors: 3
H acceptors: 5
LogP: -1.94
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: OC(=O)[C@@]1(N)C[C@H]1Cc1nsnc1O.Cl
- InChi: 1S/C7H9N3O3S.ClH/c8-7(6(12)13)2-3(7)1-4-5(11)10-14-9-4;/h3H,1-2,8H2,(H,10,11)(H,12,13);1H/t3-,7-;/m1./s1
- InChiKey: LMDKZMGPXHHZST-ASWTZPABSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | glutamate receptor, metabotropic 1 | Starlite/ChEMBL | No references |
| Rattus norvegicus | Glutamate NMDA receptor | No 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 |
|---|---|---|---|---|
| Trypanosoma cruzi | fructose-1,6-bisphosphatase, cytosolic, putative | 0.137 | 1 | 1 |
| Schistosoma mansoni | metabotropic glutamate receptor | 0.0046 | 0.0128 | 0.0128 |
| Brugia malayi | metabotropic glutamate receptor subtype 5a (mGluR5a), putative | 0.0044 | 0.0118 | 0.0118 |
| Echinococcus granulosus | fructose 16 bisphosphatase 1 | 0.137 | 1 | 1 |
| Echinococcus granulosus | metabotropic glutamate receptor 5 | 0.0065 | 0.0271 | 0.0245 |
| Trypanosoma brucei | fructose-1,6-bisphosphatase | 0.137 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0065 | 0.0271 | 0.0086 |
| Trypanosoma cruzi | fructose-1,6-bisphosphatase, cytosolic, putative | 0.137 | 1 | 1 |
| Echinococcus multilocularis | metabotropic glutamate receptor 5 | 0.0065 | 0.0271 | 0.0245 |
| Loa Loa (eye worm) | fructose-1,6-bisphosphatase | 0.137 | 1 | 1 |
| Schistosoma mansoni | fructose-16-bisphosphatase-related | 0.137 | 1 | 1 |
| Schistosoma mansoni | metabotropic glutamate receptor 2 3 (mglur group 2) | 0.0056 | 0.0202 | 0.0202 |
| Echinococcus multilocularis | fructose 1,6 bisphosphatase 1 | 0.137 | 1 | 1 |
| Brugia malayi | Metabotropic glutamate receptor precursor. | 0.0053 | 0.0187 | 0.0187 |
| Leishmania major | 0.137 | 1 | 0.5 | |
| Toxoplasma gondii | fructose-bisphospatase II | 0.137 | 1 | 1 |
| Echinococcus granulosus | metabotropic glutamate receptor 2 | 0.0046 | 0.0128 | 0.0102 |
| Echinococcus multilocularis | metabotropic glutamate receptor 2 | 0.0046 | 0.0128 | 0.0102 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (binding) | Agonist activity at human mGluR7 receptor expressed in HEK cells | ChEMBL. | No reference | |
| EC50 (binding) | Agonist activity at human mGluR3 receptor expressed in HEK cells | ChEMBL. | No reference | |
| EC50 (binding) | Agonist activity at human mGluR5 receptor expressed in HEK cells | ChEMBL. | No reference | |
| EC50 (binding) | = 3 uM | Agonist activity at human mGluR1 receptor expressed in HEK cells | ChEMBL. | No reference |
| EC50 (binding) | = 251 uM | Agonist activity at human mGluR2 receptor expressed in HEK cells | ChEMBL. | No reference |
| EC50 (binding) | > 1000 uM | Agonist activity at human mGluR4 receptor expressed in HEK cells | ChEMBL. | No reference |
| Ki (binding) | = 3.6 | Displacement of [3H]-LY341495 from human mGluR2 receptor expressed in HEK cells | ChEMBL. | No reference |
| Ki (binding) | = 4.73 | Displacement of [3H]CGP-39653 from NMDA receptor in rat brain cortical membranes | ChEMBL. | No reference |
| Ki (binding) | = 5.52 | Displacement of [3H]-Quisqualate from human mGluR1 receptor expressed in HEK cells | ChEMBL. | No reference |
| Ki (binding) | = 19 uM | Displacement of [3H]CGP-39653 from NMDA receptor in rat brain cortical membranes | 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.
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: CHEMBL3347672
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.