Compound Detail
CHEMBL4558538
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O=C(O)CC[C@H](NC(=O)NCC[C@H](NC(=O)CCCCNC(=O)c1ccc(I)cc1)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4558538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQPKPIVIQMPYRK-HOTGVXAUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
620.4
MW (Da)
0.77
ALogP
6
HBA
7
HBD
211.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 6.71 | 6.71 | 195.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 195.0 | nM | 6.71 | Inhibition of PSMA in human LNCaP cell extracts in presence of N-acetylaspartylg... | 32097010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32097010 | 10.1021/acs.jmedchem.9b02022 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine