Compound Detail
CHEMBL4204176
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Basic Information
| ChEMBL ID | CHEMBL4204176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMLAVNFTULBNSG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
7
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
0.83
ALogP
7
HBA
1
HBD
78.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.1 | 7.1 | 80.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 11268606.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 12472374.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 12940506.0 | ng.hr.mL-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of human DPP4 using A-P-7-amido-4-trifluoromethylcoumarin as substrat... | 29373269 |
| Dipeptidyl peptidase 4 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of DPP-4 (unknown origin) | 34428715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29373269 | 10.1016/j.bmc.2018.01.006 | Mus musculus | 25 |
| 29373269 | 10.1016/j.bmc.2018.01.006 | HepG2 | 2 |
| 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 |
| 34428715 | 10.1016/j.bmc.2021.116354 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine