Compound Detail
CHEMBL4289458
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
O=C(O)CC[C@H](NC(=O)N[C@@H](CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4289458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWOWBVCNJKNTCJ-IRXDYDNUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
496.5
MW (Da)
0.72
ALogP
6
HBA
5
HBD
176.6
PSA (Ų)
0.28
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 8.88 | 8.88 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 1.31 | nM | 8.88 | Inhibition of recombinant human PSMA using [3H]NAAG as substrate preincubated fo... | 30429952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30429952 | 10.1021/acsmedchemlett.8b00318 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine