Compound Detail
CHEMBL3959577
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Basic Information
| ChEMBL ID | CHEMBL3959577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXZDPLKXVPVWMV-HNAYVOBHSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.3
MW (Da)
3.52
ALogP
4
HBA
1
HBD
65.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.81 | 6.8025 | 154.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 154.67 | nM | 6.81 | Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as incre... | 27396490 |
| Dipeptidyl peptidase 4 | IC50 | = | 155.0 | nM | 6.81 | Inhibition of DPP-4 (unknown origin) | 34428715 |
| Dipeptidyl peptidase 4 | IC50 | = | 154.0 | nM | 6.81 | Inhibition Activity Assay: Screening Method:Name of method: Activity Evaluation ... | - |
| Dipeptidyl peptidase 4 | IC50 | = | 165.0 | nM | 6.78 | Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC sub... | 27396490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27396490 | 10.1021/acs.jmedchem.6b00505 | Dipeptidyl peptidase 4 | 3 |
| 34428715 | 10.1016/j.bmc.2021.116354 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine