Compound Detail
CHEMBL4208513
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Basic Information
| ChEMBL ID | CHEMBL4208513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMYRKXCXMSANLT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
0.95
ALogP
6
HBA
1
HBD
54.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human DPP4 using A-P-7-amido-4-trifluoromethylcoumarin as substrat... | 29373269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29373269 | 10.1016/j.bmc.2018.01.006 | Unchecked | 2 |
| 29373269 | 10.1016/j.bmc.2018.01.006 | Dipeptidyl peptidase 9 | 1 |
| 29373269 | 10.1016/j.bmc.2018.01.006 | Dipeptidyl peptidase 8 | 1 |
| 29373269 | 10.1016/j.bmc.2018.01.006 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine