Compound Detail
CHEMBL3261925
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3261925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEOQUBBPBNJOAA-IBGZPJMESA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
2.41
ALogP
4
HBA
2
HBD
88.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 CHEMBL2252 | IC50 | 8.7 | 8.1 | 2.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 150.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 | IC50 | = | 1.995 | nM | 8.7 | Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate pre... | 24592859 |
| Dipeptidyl peptidase 1 | IC50 | = | 31.62 | nM | 7.5 | Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Ph... | 24592859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24592859 | 10.1021/jm401705g | Dipeptidyl peptidase 1 | 2 |
| 24592859 | 10.1021/jm401705g | No relevant target | 2 |
| 24592859 | 10.1021/jm401705g | ADMET | 1 |
| 24592859 | 10.1021/jm401705g | Hepatocyte | 1 |
| 24592859 | 10.1021/jm401705g | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 24592859 | 10.1021/jm401705g | Cathepsin K | 1 |
Data from ChEMBL 36 via Core Engine