Compound Detail
CHEMBL5862613
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O=C(c1ccc(N2CCOCC2)cc1)n1nc(-c2cccn(Cc3cccnc3)c2=O)cc1NCc1ccc(Cl)s1
Basic Information
| ChEMBL ID | CHEMBL5862613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADSGNGOCCAOAPO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
587.1
MW (Da)
5.01
ALogP
10
HBA
1
HBD
94.3
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 |
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... | - |
Data from ChEMBL 36 via Core Engine