Compound Detail
CHEMBL194993
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 | CHEMBL194993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXBOAAQCBVCIKM-ULQDDVLXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
1.06
ALogP
4
HBA
2
HBD
68.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 1.5 | nM | 8.82 | Inhibitory concentration against rat dipeptidylpeptidase IV | 15863294 |
| Dipeptidyl peptidase 4 | IC50 | = | 1.9 | nM | 8.72 | Inhibitory concentration against human dipeptidylpeptidase IV | 15863294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15863294 | 10.1016/j.bmcl.2005.03.077 | Dipeptidyl peptidase 4 | 2 |
Data from ChEMBL 36 via Core Engine