Compound Detail
CHEMBL5750451
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Basic Information
| ChEMBL ID | CHEMBL5750451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOGQNLZUYVFDDS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
3.64
ALogP
7
HBA
2
HBD
102.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 10.23 | 10.23 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 0.059 | nM | 10.23 | Kinase Inhibiting Activity Assay: Chk-1 Kinase Inhibiting ActivityThe compounds ... | - |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 0.059 | nM | 10.23 | Kinase Inhibiting Activity Assay: Base Reaction buffer: 20 mM Hepes (pH 7.5), 10... | - |
Data from ChEMBL 36 via Core Engine