Compound Detail
CHEMBL5916840
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O=CO[C@H](CCCCNC(=O)c1ccc(I)cc1)OC(=O)N[C@@H](CCC(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5916840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFRGPYLREJOQLM-HOCLYGCPSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
550.3
MW (Da)
1.73
ALogP
7
HBA
4
HBD
168.3
PSA (Ų)
0.12
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.05
IC50 1 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 9.05 | 9.05 | 0.9 | 2 |
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 0.9 | nM | 9.05 | Fluorescence-Based Amplex Red Glutamic Acid Assay : The PSMA inhibitory activity... | - |
| Glutamate carboxypeptidase 2 | Ki | = | 0.9 | nM | 9.05 | Fluorescence-Based Amplex Red Glutamic Acid Assay : The PSMA inhibitory activity... | - |
| Glutamate carboxypeptidase 2 | IC50 | = | 4.3 | nM | 8.37 | Fluorescence-Based Amplex Red Glutamic Acid Assay : The PSMA inhibitory activity... | - |
Data from ChEMBL 36 via Core Engine