Compound Detail
CHEMBL5768759
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 | CHEMBL5768759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJDRFKRPJFQLBB-AWEZNQCLSA-N |
4
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
2.19
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.35 | 5.35 | 4426.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.06 | 4.06 | 87440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 4426.0 | nM | 5.35 | EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... | - |
| Dipeptidyl peptidase 9 | IC50 | = | 5200.0 | nM | 5.28 | In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... | - |
| Dipeptidyl peptidase 8 | IC50 | = | 6800.0 | nM | 5.17 | In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... | - |
| Unchecked | IC50 | = | 87440.0 | nM | 4.06 | EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... | - |
Data from ChEMBL 36 via Core Engine