Compound Detail
CHEMBL5411114
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Basic Information
| ChEMBL ID | CHEMBL5411114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRLRAMRHJZSZIE-QRIPLOBPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
2.32
ALogP
3
HBA
2
HBD
75.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL3883 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 0.8 | nM | 9.1 | Inhibition of mouse serum DPP4 assessed as cleavage of substrate by measuring AM... | 36029562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36029562 | 10.1016/j.ejmech.2022.114697 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine