Compound Detail
CHEMBL1884989
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Basic Information
| ChEMBL ID | CHEMBL1884989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQVSPZZIBWDHOF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
209.2
MW (Da)
2.48
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.52
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 4.14 | 4.14 | 72510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | EC50 | = | 3000.0 | nM | 5.52 | Positive allosteric modulation of human mGluR2 expressed in human Chem1 cells as... | 29505715 |
| Sodium/hydrogen exchanger 1 | IC50 | = | 72510.0 | nM | 4.14 | Inhibition of platelet NHE1 in human platelet rich plasma assessed as decrease i... | 27750152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29505715 | 10.1021/acs.jmedchem.8b00161 | ADMET | 3 |
| 27750152 | 10.1016/j.ejmech.2016.10.005 | Sodium/hydrogen exchanger 1 | 1 |
| 29505715 | 10.1021/acs.jmedchem.8b00161 | Metabotropic glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine