Compound Detail
CHEMBL1079888
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Basic Information
| ChEMBL ID | CHEMBL1079888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGLNHGYQNVKDBL-YJBOKZPZSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
3.60
ALogP
5
HBA
2
HBD
78.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 CHEMBL2252 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 100.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 | IC50 | = | 0.3 | nM | 9.52 | Inhibition of human recombinant cathepsin C | 19665376 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19665376 | 10.1016/j.bmcl.2009.07.114 | Rattus norvegicus | 2 |
| 19665376 | 10.1016/j.bmcl.2009.07.114 | Dipeptidyl peptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine