Compound Detail
CHEMBL430452
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Basic Information
| ChEMBL ID | CHEMBL430452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMDMZULSFFYIKA-PKNMQIIOSA-N |
| Parent Compound | CHEMBL1185729 |
| Active Moiety | CHEMBL1185729 |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
1.41
ALogP
3
HBA
1
HBD
70.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL3813 | Ki | 7.82 | 7.82 | 15.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 19.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 15.0 | nM | 7.82 | In vitro inhibition of porcine Dipeptidylpeptidase IV. | 15115400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115400 | 10.1021/jm049924d | Dipeptidyl peptidase 4 | 1 |
| 15115400 | 10.1021/jm049924d | ADMET | 1 |
Data from ChEMBL 36 via Core Engine