Compound Detail
CHEMBL596351
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL596351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSGWCSGMXAVYRT-YUMQZZPRSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
0.10
ALogP
4
HBA
5
HBD
153.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.24
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 9.3 | 8.63 | 0.5 | 2 |
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 9.24 | 9.11 | 0.6 | 3 |
| Unchecked CHEMBL612545 | Ki | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of N-terminally tagged human recombinant GCP2 (44 to 750 residues) ex... | 30552009 |
| Glutamate carboxypeptidase 2 | Ki | = | 0.58 | nM | 9.24 | Inhibition of antiTEV-tagged GCP2 extracellular portion (aa 44-750) (unknown ori... | 25923815 |
| Glutamate carboxypeptidase 2 | Ki | = | 0.75 | nM | 9.12 | Inhibition of human cloned glutamate carboxypeptidase 2 | 19897367 |
| Glutamate carboxypeptidase 2 | Ki | = | 1.08 | nM | 8.97 | Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glut... | 21923190 |
| Glutamate carboxypeptidase 2 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of PSMA in human LNCaP cell extracts using NAAG as substrate by ample... | 35661685 |
| Unchecked | Ki | = | 150.0 | nM | 6.82 | Inhibition of antiTEV-tagged GCP3 extracellular portion (aa 36-740) (unknown ori... | 25923815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25923815 | 10.1021/acs.jmedchem.5b00278 | Unchecked | 2 |
| 19897367 | 10.1016/j.bmcl.2009.10.061 | Glutamate carboxypeptidase 2 | 1 |
| 21923190 | 10.1021/jm200807m | Glutamate carboxypeptidase 2 | 1 |
| 25923815 | 10.1021/acs.jmedchem.5b00278 | Glutamate carboxypeptidase 2 | 1 |
| 30552009 | 10.1016/j.bmc.2018.11.022 | Glutamate carboxypeptidase 2 | 1 |
| 35661685 | 10.1016/j.bmcl.2022.128840 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine