Compound Detail
CHEMBL4528949
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Basic Information
| ChEMBL ID | CHEMBL4528949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYGUQNWAJDEGOO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.3
MW (Da)
4.56
ALogP
5
HBA
1
HBD
63.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kallikrein-7 CHEMBL4295910 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Kallikrein-7 CHEMBL2443 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kallikrein-7 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of enterokinase activated recombinant mouse C-terminal His6-tagged KL... | 30522951 |
| Kallikrein-7 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged K... | 30522951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30522951 | 10.1016/j.bmcl.2018.11.011 | Kallikrein-7 | 2 |
Data from ChEMBL 36 via Core Engine