Compound Detail
CHEMBL5555029
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COc1ccc(C2=[N+]3C(=Cc4c(C)c(CCC(=O)NCCCC[C@H](NC(=O)[C@@H]5C[C@@H](NC(=O)c6c[nH]nn6)CN5C(=O)c5cnoc5C5CC5)C(=O)O)c(C)n4[B-]3(F)F)C=C2)cc1
Basic Information
| ChEMBL ID | CHEMBL5555029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKKXXHJPCNGEKT-SOGDBTKUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
868.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acetylated-alpha-linked acidic dipeptidase 2 CHEMBL2609 | Kd | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acetylated-alpha-linked acidic dipeptidase 2 | Kd | = | 15.0 | nM | 7.82 | Binding affinity to human recombinant GCPIII assessed as dissociation constant b... | 38716576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38716576 | 10.1021/acs.jmedchem.4c00332 | N-acetylated-alpha-linked acidic dipeptidase 2 | 2 |
| 38716576 | 10.1021/acs.jmedchem.4c00332 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine