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Compound Detail

CHEMBL4870231

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CC1CCCC(N2C(=O)OC(C(C)C)c3cnc(Nc4cc(F)c(O)c(F)c4)nc32)C1

Basic Information

ChEMBL ID CHEMBL4870231
Phase Preclinical
Structure Type MOL
InChI Key OURZILKNIZGDQN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
5.44
ALogP
6
HBA
2
HBD
87.6
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26F2N4O3
MW 432.47
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase alpha-6
CHEMBL4924
IC50 7.82 7.82 15.0 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