Compound Detail
CHEMBL4586744
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)NCC[C@H](NC(=O)CCCNC(=O)c1ccc(I)cc1)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4586744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNXZMODQJJPIHM-GJZGRUSLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
606.4
MW (Da)
0.38
ALogP
6
HBA
7
HBD
211.2
PSA (Ų)
0.11
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 6.55 | 6.55 | 284.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 284.0 | nM | 6.55 | 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