Compound Detail
CHEMBL1765234
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CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCCC1)C(=O)N1CCC[C@H]1B(O)O
Basic Information
| ChEMBL ID | CHEMBL1765234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKESQDGDFLIEFK-VJANTYMQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
450.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.72 | 7.71 | 19.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of DDP4 at pH 7.4 preincubated for 10 mins | 21388136 |
| Dipeptidyl peptidase 4 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of DDP4 at pH 2 preincubated for 10 mins | 21388136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21388136 | 10.1021/jm100972f | Mus musculus | 4 |
| 21388136 | 10.1021/jm100972f | Dipeptidyl peptidase 4 | 3 |
| 21388136 | 10.1021/jm100972f | No relevant target | 1 |
| 21388136 | 10.1021/jm100972f | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine