Compound Detail
CHEMBL4853030
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Basic Information
| ChEMBL ID | CHEMBL4853030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDZSUVPAQIUIGI-CQSZACIVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
3.26
ALogP
5
HBA
3
HBD
92.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of N-terminal His6-tagged human p70S6k T412E mutant (1 to 421 residue... | 34596404 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of His-tagged human AKT1 expressed in baculovirus expression system u... | 34596404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34596404 | 10.1021/acs.jmedchem.1c01087 | Ribosomal protein S6 kinase beta-1 | 1 |
| 34596404 | 10.1021/acs.jmedchem.1c01087 | RAC-alpha serine/threonine-protein kinase | 1 |
| 34596404 | 10.1021/acs.jmedchem.1c01087 | Aurora kinase B/Inner centromere protein | 1 |
Data from ChEMBL 36 via Core Engine