Compound Detail
CHEMBL2349528
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Basic Information
| ChEMBL ID | CHEMBL2349528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEYBSOOLSUEJAG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
262.7
MW (Da)
3.07
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| DNA repair nuclease/redox regulator APEX1 CHEMBL5619 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 63.0 | nM | 7.2 | Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assesse... | 23434029 |
| DNA repair nuclease/redox regulator APEX1 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of N-terminal hexa-His tagged human APE1 expressed in Escherichia col... | 28161249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23434029 | 10.1016/j.bmcl.2013.01.116 | Metabotropic glutamate receptor 5 | 1 |
| 28161249 | 10.1016/j.bmc.2017.01.028 | DNA repair nuclease/redox regulator APEX1 | 1 |
Data from ChEMBL 36 via Core Engine