Compound Detail
CHEMBL3350931
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3350931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMKYSPWIUMHMJR-VPOLOUISSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
-0.01
ALogP
4
HBA
2
HBD
90.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 42.0 | nM | 7.38 | In vitro inhibition constant against human Dipeptidyl peptidase IV | 16033281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033281 | 10.1021/jm050261p | Dipeptidyl peptidase 4 | 3 |
Data from ChEMBL 36 via Core Engine