Compound Detail
CHEMBL1186023
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CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)ccc2F)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1186023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GERHAXJHCLVDBJ-PBXXJUDPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
517.6
MW (Da)
3.02
ALogP
5
HBA
3
HBD
122.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 9.32 | 9.32 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 0.48 | nM | 9.32 | Inhibition of recombinant human dipeptidyl peptidase 4 using Gly-Pro-AMC as subs... | 34213340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34213340 | 10.1021/acs.jmedchem.1c00790 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine