Compound Detail
CHEMBL5565532
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N=c1ccc2c(-c3ccc(C(=O)NCCCC[C@H](NC(=O)[C@@H]4C[C@@H](NC(=O)c5c[nH]nn5)CN4C(=O)c4cnoc4C4CC4)C(=O)O)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)O
Basic Information
| ChEMBL ID | CHEMBL5565532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPWCJLPWADSPOW-MATHUIJASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1005.0
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acetylated-alpha-linked acidic dipeptidase 2 CHEMBL2609 | Kd | 8.35 | 8.35 | 4.5 | 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 | = | 4.5 | nM | 8.35 | 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