Compound Detail
CHEMBL383841
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Basic Information
| ChEMBL ID | CHEMBL383841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYDWWAAZBXIGRQ-INIZCTEOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
1.44
ALogP
7
HBA
1
HBD
92.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.28 | 6.28 | 527.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.67 | 5.67 | 2117.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.19 | 5.19 | 6452.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 527.0 | nM | 6.28 | Inhibitory activity against DPP4 | 16392822 |
| Dipeptidyl peptidase 8 | IC50 | = | 2117.0 | nM | 5.67 | Inhibitory activity against DPP8 | 16392822 |
| Dipeptidyl peptidase 2 | IC50 | = | 6452.0 | nM | 5.19 | Inhibitory activity against DPP2 | 16392822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392822 | 10.1021/jm0507781 | Dipeptidyl peptidase 4 | 1 |
| 16392822 | 10.1021/jm0507781 | Dipeptidyl peptidase 8 | 1 |
| 16392822 | 10.1021/jm0507781 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine