Compound Detail
CHEMBL3261918
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Basic Information
| ChEMBL ID | CHEMBL3261918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGQMDQHFBCAQCC-PMACEKPBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.05
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 CHEMBL2252 | IC50 | 6.9 | 6.85 | 125.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 | IC50 | = | 125.89 | nM | 6.9 | Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate pre... | 24592859 |
| Dipeptidyl peptidase 1 | IC50 | = | 158.49 | nM | 6.8 | 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 | Hepatocyte | 3 |
| 24592859 | 10.1021/jm401705g | Dipeptidyl peptidase 1 | 2 |
| 24592859 | 10.1021/jm401705g | Plasma | 2 |
Data from ChEMBL 36 via Core Engine