Compound Detail
CHEMBL313938
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Basic Information
| ChEMBL ID | CHEMBL313938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSTPKMWNRWCNLS-UHFFFAOYSA-N |
2
Targets
5
Activities
3
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
221.2
MW (Da)
0.57
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.16
EC50 1 meas. best 6.08
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.08 | 6.08 | 833.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 833.0 | nM | 6.08 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Metabotropic glutamate receptor 1 | IC50 | = | 7000.0 | nM | 5.16 | Ability to inhibit mGluR1-alpha-mediated PI (phospho inositol) hydrolysis was de... | 7562903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 8831765 | 10.1021/jm9601718 | Metabotropic glutamate receptor 1 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 1 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 2 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 4 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 5 | 1 |
| 7562903 | 10.1021/jm00019a002 | Metabotropic glutamate receptor 1 | 1 |
| 7562903 | 10.1021/jm00019a002 | Metabotropic glutamate receptor 2 | 1 |
| 7562903 | 10.1021/jm00019a002 | Metabotropic glutamate receptor 4 | 1 |
| - | 10.1016/S0960-894X(97)10071-3 | Metabotropic glutamate receptor 1 | 1 |
| 18849168 | 10.1016/j.bmc.2008.09.060 | Mus musculus | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine