Compound Detail
CHEMBL427850
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Basic Information
| ChEMBL ID | CHEMBL427850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIDDMZJRFUKWAI-ZPWCZAOQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.66
ALogP
5
HBA
1
HBD
81.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.15 | 4.15 | 71000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 | IC50 | = | 71000.0 | nM | 4.15 | Inhibition of human DPP8 | 17958345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17958345 | 10.1021/jm701005a | Dipeptidyl peptidase 8 | 1 |
| 17958345 | 10.1021/jm701005a | Dipeptidyl peptidase 4 | 1 |
| 17958345 | 10.1021/jm701005a | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine