Compound Detail
CHEMBL4164893
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Basic Information
| ChEMBL ID | CHEMBL4164893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKHIZFYZUYRLCB-CYBMUJFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
1.99
ALogP
6
HBA
2
HBD
103.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.9 | 8.9 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 1.25 | nM | 8.9 | Inhibition of human DPP4 using Gly-Pro-AMC as substrate preincubated for 10 mins... | 29078995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29078995 | 10.1016/j.ejmech.2017.10.029 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine