Compound Detail
CHEMBL99506
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Basic Information
| ChEMBL ID | CHEMBL99506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFKRQSSJAHOQJD-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.8
MW (Da)
2.11
ALogP
3
HBA
2
HBD
58.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 9.41 | 9.41 | 0.4 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 | IC50 | = | 0.39 | nM | 9.41 | Inhibition of human Dipeptidylpeptidase II (DPP II) | 15139769 |
| Dipeptidyl peptidase 4 | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of human Dipeptidylpeptidase IV (DPP IV) | 15139769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15139769 | 10.1021/jm031122f | Dipeptidyl peptidase 2 | 1 |
| 15139769 | 10.1021/jm031122f | Dipeptidyl peptidase 4 | 1 |
| 15139769 | 10.1021/jm031122f | Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4) | 1 |
Data from ChEMBL 36 via Core Engine