Compound Detail
CHEMBL94278
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 | CHEMBL94278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQLSDZRDGGRNBU-QWRGUYRKSA-N |
3
Targets
4
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
1.02
ALogP
3
HBA
1
HBD
70.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 9.0 | 8.98 | 1.0 | 2 |
| Dipeptidyl peptidase 9 CHEMBL4793 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | Ki | 8.4 | 8.4 | 4.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 48.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 1.0 | nM | 9.0 | Inhibition of human DPP4 expressed in Caco-2 cells | 17034148 |
| Dipeptidyl peptidase 4 | Ki | = | 1.1 | nM | 8.96 | Inhibition of human Dipeptidyl peptidase IV | - |
| Dipeptidyl peptidase 9 | Ki | = | 3.0 | nM | 8.52 | Inhibition of DPP9 | 17034148 |
| Dipeptidyl peptidase 8 | Ki | = | 4.0 | nM | 8.4 | Inhibition of DPP8 | 17034148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00491-X | Dipeptidyl peptidase 4 | 1 |
| - | 10.1016/S0960-894X(96)00491-X | ADMET | 1 |
| 17034148 | 10.1021/jm060777o | Dipeptidyl peptidase 4 | 1 |
| 17034148 | 10.1021/jm060777o | Dipeptidyl peptidase 8 | 1 |
| 17034148 | 10.1021/jm060777o | Dipeptidyl peptidase 9 | 1 |
Data from ChEMBL 36 via Core Engine