Compound Detail
CHEMBL2204232
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Basic Information
| ChEMBL ID | CHEMBL2204232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XACZURRGZKRLIW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.3
MW (Da)
5.21
ALogP
4
HBA
2
HBD
74.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 33 CHEMBL6005 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 33 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using m... | 23256033 |
| Unchecked | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of His-tagged recombinant catalytic fragment of PKA assessed as phosp... | 23256033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23256033 | 10.1021/ml300246r | Unchecked | 2 |
| 23256033 | 10.1021/ml300246r | Serine/threonine-protein kinase 33 | 1 |
Data from ChEMBL 36 via Core Engine