Compound Detail
CHEMBL5425473
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Basic Information
| ChEMBL ID | CHEMBL5425473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCERYAUIZMAWPO-CNSWMUILSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
1.41
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 9 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of DPP9 (unknown origin) | 37721854 |
| Dipeptidyl peptidase 8 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of DPP8 (unknown origin) | 37721854 |
| Dipeptidyl peptidase 2 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of DPP2 (unknown origin) | 37721854 |
| Dipeptidyl peptidase 4 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of DPP4 (unknown origin) | 37721854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37721854 | 10.1021/acs.jmedchem.3c00609 | Unchecked | 2 |
| 37721854 | 10.1021/acs.jmedchem.3c00609 | Dipeptidyl peptidase 4 | 1 |
| 37721854 | 10.1021/acs.jmedchem.3c00609 | Dipeptidyl peptidase 9 | 1 |
| 37721854 | 10.1021/acs.jmedchem.3c00609 | Dipeptidyl peptidase 8 | 1 |
| 37721854 | 10.1021/acs.jmedchem.3c00609 | Dipeptidyl peptidase 2 | 1 |
| 37721854 | 10.1021/acs.jmedchem.3c00609 | Glomulin | 1 |
| 37721854 | 10.1021/acs.jmedchem.3c00609 | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine