Compound Detail
CHEMBL175872
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 | CHEMBL175872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCRFZKKDIWRAQQ-RTBURBONSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
2.13
ALogP
3
HBA
2
HBD
58.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.86 | 6.86 | 139.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 139.0 | nM | 6.86 | In vitro inhibitory concentration was measured against dipeptidylpeptidase IV | 15634008 |
| Dipeptidyl peptidase 4 | IC50 | = | 139.0 | nM | 6.86 | Inhibitory concentration against Dipeptidylpeptidase IV | 15324904 |
| Dipeptidyl peptidase 4 | IC50 | = | 139.0 | nM | 6.86 | Inhibition of DPP4 | 18201067 |
| Dipeptidyl peptidase 4 | IC50 | = | 139.0 | nM | 6.86 | Inhibition of DPP4 | 19217790 |
| Dipeptidyl peptidase 4 | IC50 | = | 139.0 | nM | 6.86 | Inhibition of DPP-4 (unknown origin) | 34428715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634008 | 10.1021/jm0493156 | Dipeptidyl peptidase 4 | 1 |
| 15324904 | 10.1016/j.bmcl.2004.06.065 | Dipeptidyl peptidase 4 | 1 |
| 15324904 | 10.1016/j.bmcl.2004.06.065 | Dipeptidyl peptidase 2 | 1 |
| 18201067 | 10.1021/jm070330v | Dipeptidyl peptidase 4 | 1 |
| 18201067 | 10.1021/jm070330v | Xaa-Pro aminopeptidase 1 | 1 |
| 18201067 | 10.1021/jm070330v | Xaa-Pro dipeptidase | 1 |
| 19217790 | 10.1016/j.bmc.2009.01.061 | Dipeptidyl peptidase 4 | 1 |
| 34428715 | 10.1016/j.bmc.2021.116354 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine