Compound Detail
CHEMBL4863126
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Basic Information
| ChEMBL ID | CHEMBL4863126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFXIWZBRMBJQQA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.8
MW (Da)
5.64
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 CHEMBL2252 | IC50 | 6.17 | 6.1133 | 678.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.4 | mL.min-1.g-1 | Mus musculus |
| CL | 8.9 | 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 | = | 678.0 | nM | 6.17 | Inhibition of human recombinant Cathepsin C using H-Gly-Arg-AMC as substrate pre... | 34374541 |
| Dipeptidyl peptidase 1 | IC50 | = | 678.0 | nM | 6.17 | Inhibition of human Cathepsin C in human THP-1 cells using H-Gly-Phe-AFC as subs... | 34374541 |
| Dipeptidyl peptidase 1 | IC50 | = | 992.0 | nM | 6.0 | Inhibition of human Cathepsin C in human U-937 cells using H-Gly-Phe-AFC as subs... | 34374541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34374541 | 10.1021/acs.jmedchem.1c00104 | No relevant target | 5 |
| 34374541 | 10.1021/acs.jmedchem.1c00104 | Dipeptidyl peptidase 1 | 3 |
| 34374541 | 10.1021/acs.jmedchem.1c00104 | ADMET | 2 |
| 34374541 | 10.1021/acs.jmedchem.1c00104 | L02 | 1 |
Data from ChEMBL 36 via Core Engine