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Compound Detail

CHEMBL4856762

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CC(C)CCN1C(=O)OC(C(C)C)c2cnc(Nc3ccc(O)cc3)nc21

Basic Information

ChEMBL ID CHEMBL4856762
Phase Preclinical
Structure Type MOL
InChI Key QWHONHLOGLNYCP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
4.63
ALogP
6
HBA
2
HBD
87.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N4O3
MW 370.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 7.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase alpha-6
CHEMBL4924
IC50 7.08 7.08 84.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34496560 10.1021/acs.jmedchem.1c00969 Ribosomal protein S6 kinase alpha-6 1

Data from ChEMBL 36 via Core Engine