Compound Detail
CHEMBL304885
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Basic Information
| ChEMBL ID | CHEMBL304885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWPIVZNZHAFMNA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
164.2
MW (Da)
0.23
ALogP
3
HBA
3
HBD
74.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of N-acetyl-L-aspartyl-[3H]L-glutamate binding to glutamate carboxype... | 12723961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12723961 | 10.1021/jm020515w | Glutamate carboxypeptidase 2 | 1 |
| 12873492 | 10.1016/s0960-894x(03)00539-0 | Unchecked | 1 |
| 34792334 | 10.1021/acs.jmedchem.1c01694 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine