Compound Detail
CHEMBL61832
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Basic Information
| ChEMBL ID | CHEMBL61832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWXRWGOZASTQKI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
2
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
3.06
ALogP
6
HBA
4
HBD
149.2
PSA (Ų)
0.21
QED
0
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 190.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 53.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 107.18 | nM | Rattus norvegicus |
| T1/2 | 1.05 | hr | Rattus norvegicus |
| T1/2 | 1.94 | hr | Rattus norvegicus |
| Tmax | 0.9 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 3100.0 | nM | 5.51 | 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 | Rattus norvegicus | 6 |
| 12723961 | 10.1021/jm020515w | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine