Compound Detail
CHEMBL145862
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Basic Information
| ChEMBL ID | CHEMBL145862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJEKZAHKFCREOG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
-0.62
ALogP
3
HBA
3
HBD
110.7
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.74 | 4.74 | 18100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 | IC50 | = | 630.0 | nM | 6.2 | Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II) | 14584950 |
| Dipeptidyl peptidase 4 | IC50 | = | 18100.0 | nM | 4.74 | Inhibitory activity against Dipeptidylpeptidase IV (DPP IV) | 14584950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584950 | 10.1021/jm0308803 | Dipeptidyl peptidase 4 | 2 |
| 14584950 | 10.1021/jm0308803 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine