Compound Detail
CHEMBL593079
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COc1cc(C(NC(=O)N[C@@H](CCCCNC(=O)c2ccc(I)cc2)C(=O)O)C(=O)O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL593079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFZQIYDHDCWNKU-UCFFOFKASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
599.4
MW (Da)
2.48
ALogP
6
HBA
6
HBD
174.3
PSA (Ų)
0.16
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 6.54 | 6.54 | 285.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 285.0 | nM | 6.54 | Inhibition of human cloned glutamate carboxypeptidase 2 | 19897367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19897367 | 10.1016/j.bmcl.2009.10.061 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine