Compound Detail
CHEMBL5981698
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Basic Information
| ChEMBL ID | CHEMBL5981698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQOTVZQAEBLFTC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
468.0
MW (Da)
5.04
ALogP
8
HBA
1
HBD
72.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma kallikrein CHEMBL2000 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Kallikrein-1 CHEMBL2319 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma kallikrein | IC50 | = | 550.0 | nM | 6.26 | KLKB1 Activity Assay: Human KLKB1 protein was obtained from Enzyme Research Labs... | - |
| Kallikrein-1 | IC50 | = | 55000.0 | nM | 4.26 | KLK1 Activity Assay: Recombinant human tissue kallikrein (KLK1) was obtained fro... | - |
Data from ChEMBL 36 via Core Engine