Compound Detail
CHEMBL191699
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Basic Information
| ChEMBL ID | CHEMBL191699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLDRGYMMSSECLT-CIUDSAMLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
208.3
MW (Da)
-0.81
ALogP
4
HBA
2
HBD
82.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 8.04 | 8.04 | 9.1 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.01 | 8.01 | 9.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 9.1 | nM | 8.04 | Inhibitory concentration against rat dipeptidylpeptidase IV | 15863294 |
| Dipeptidyl peptidase 4 | IC50 | = | 9.7 | nM | 8.01 | 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