Compound Detail
CHEMBL1287842
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Basic Information
| ChEMBL ID | CHEMBL1287842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMJNJLQDXWPIAF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
3.57
ALogP
5
HBA
3
HBD
88.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 93.0 | nM | 7.03 | Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G | 21074428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21074428 | 10.1016/j.bmcl.2010.10.109 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine