Compound Detail
CHEMBL4851020
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Basic Information
| ChEMBL ID | CHEMBL4851020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXXQAWREKCQJCS-QGZVFWFLSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.73
ALogP
5
HBA
2
HBD
84.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Aurora kinase B/Inner centromere protein CHEMBL3430907 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Molecular identity unknown CHEMBL612546 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 2.4 | nM | 8.62 | Inhibition of N-terminal His6-tagged human p70S6k T412E mutant (1 to 421 residue... | 34596404 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 22.0 | nM | 7.66 | Inhibition of His-tagged human AKT1 expressed in baculovirus expression system u... | 34596404 |
| Aurora kinase B/Inner centromere protein | IC50 | = | 45.0 | nM | 7.35 | Inhibition of recombinant full length GST-tagged human Aurora B (1 to 344 residu... | 34596404 |
| Molecular identity unknown | IC50 | = | 76.0 | nM | 7.12 | Inhibition of PI3K/Akt/mTOR pathway in human MDA-MB-468 cells assessed as reduct... | 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 | Molecular identity unknown | 1 |
| 34596404 | 10.1021/acs.jmedchem.1c01087 | Aurora kinase B/Inner centromere protein | 1 |
| 34596404 | 10.1021/acs.jmedchem.1c01087 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine