Compound Detail
CHEMBL5408845
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CC1(C)C(/C=C2/C(=O)C(/C=C3\N(CCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CNC4=C(O)C(O)C4=O)C(=O)O)C(=O)O)c4ccccc4C3(C)C)=C2[O-])=[N+](CCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CNc2c(O)c(=O)c2=O)C(=O)O)C(=O)O)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL5408845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLKPDBNICYOMKP-JWZHHCSBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1335.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | Ki | = | 2.49 | nM | 8.6 | Binding affinity to human recombinant PSMA (unknown origin) assessed as inhibiti... | 37161996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37161996 | 10.1021/acs.jmedchem.3c00309 | ADMET | 4 |
| 37161996 | 10.1021/acs.jmedchem.3c00309 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine