Compound Detail
CHEMBL3311268
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Basic Information
| ChEMBL ID | CHEMBL3311268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOULYQQBZJCLAE-UWVGGRQHSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
-0.64
ALogP
5
HBA
6
HBD
182.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 9.77 | 9.765 | 0.2 | 2 |
| Unchecked CHEMBL612545 | Ki | 8.09 | 8.09 | 8.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 0.17 | nM | 9.77 | Inhibition of antiTEV-tagged GCP2 extracellular portion (aa 44-750) (unknown ori... | 25923815 |
| Glutamate carboxypeptidase 2 | Ki | = | 0.174 | nM | 9.76 | Inhibition of human recombinant N-terminal Avi-tagged glutamate carboxypeptidase... | 24954515 |
| Unchecked | Ki | = | 8.2 | nM | 8.09 | 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 |
| 24954515 | 10.1016/j.bmc.2014.05.061 | Glutamate carboxypeptidase 2 | 1 |
| 25923815 | 10.1021/acs.jmedchem.5b00278 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine