Compound Detail
CHEMBL3639742
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Basic Information
| ChEMBL ID | CHEMBL3639742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWPXOBSLFBHGEZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
2.62
ALogP
4
HBA
2
HBD
80.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 9.23 | 9.23 | 0.6 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 7.0 | 6.995 | 101.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 0.59 | nM | 9.23 | Enzyme Assay: The Aurora assays described here are performed on two Caliper Life... | - |
| Aurora kinase A | IC50 | = | 2.2 | nM | 8.66 | Enzyme Assay: The Aurora assays described here are performed on two Caliper Life... | - |
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 101.0 | nM | 7.0 | Enzyme Assay: P70S6K inhibitor compounds are diluted and plated in 96 well plate... | - |
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 102.0 | nM | 6.99 | Inhibition of N-terminal His6-tagged human p70S6k T412E mutant (1 to 421 residue... | 34596404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34596404 | 10.1021/acs.jmedchem.1c01087 | Ribosomal protein S6 kinase beta-1 | 1 |
Data from ChEMBL 36 via Core Engine