Compound Detail
CHEMBL63454
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Basic Information
| ChEMBL ID | CHEMBL63454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTZIUDNKEYUDDE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
219.2
MW (Da)
-0.16
ALogP
4
HBA
4
HBD
123.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 5.92 | 5.92 | 1200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of Glutamate carboxypeptidase II | 12798312 |
| Glutamate carboxypeptidase 2 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of recombinant human GCP2 using [3H]-NAAG as substrate | 27074627 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12798312 | 10.1016/s0960-894x(03)00407-4 | Glutamate carboxypeptidase 2 | 1 |
| 27074627 | 10.1021/acs.jmedchem.5b01806 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine