Compound Detail
CHEMBL4745231
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Basic Information
| ChEMBL ID | CHEMBL4745231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSBUBOGWKWFQSF-CYBMUJFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
3.35
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.58 | 6.58 | 265.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 265.0 | nM | 6.58 | Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate incubated fo... | 33214038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33214038 | 10.1016/j.bmc.2020.115861 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine