Compound Detail
CHEMBL2431337
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O=C(O)CC[C@H](NC(=O)N[C@@H](CSC1CC(=O)N(CCCC[C@H](NC(=O)CNC(=O)c2ccccc2)C(=O)O)C1=O)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2431337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZHQOGKACRRCBT-CMIFXSJHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
681.7
MW (Da)
-0.91
ALogP
10
HBA
8
HBD
285.9
PSA (Ų)
0.06
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 8.09 | 8.09 | 8.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 8.06 | nM | 8.09 | Displacement of [123I]-DCIT from PSMA in human LNCaP cells after 1 hr by gamma c... | 24063417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24063417 | 10.1021/jm400895s | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine