Compound Detail
CHEMBL382398
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Basic Information
| ChEMBL ID | CHEMBL382398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKPYNGWTXQIZFC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.34
ALogP
3
HBA
3
HBD
74.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 7.82 | 7.82 | 15.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of human recombinant GCP2 | 16686531 |
| Glutamate carboxypeptidase 2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G | 21074428 |
| Glutamate carboxypeptidase 2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate ... | 22642259 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16686531 | 10.1021/jm051019l | Rattus norvegicus | 2 |
| 16686531 | 10.1021/jm051019l | Glutamate carboxypeptidase 2 | 1 |
| 21074428 | 10.1016/j.bmcl.2010.10.109 | Glutamate carboxypeptidase 2 | 1 |
| 22642259 | 10.1021/jm300488m | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine