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Compound Detail

CHEMBL4849875

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CC(C)C1OC(=O)N(C2CCCC2)c2nc(Nc3cc(F)c(C(F)(F)F)c(F)c3)ncc21

Basic Information

ChEMBL ID CHEMBL4849875
Phase Preclinical
Structure Type MOL
InChI Key RVJUKAMPIGXJGM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.4
MW (Da)
6.11
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.56
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 C21H21F5N4O2
MW 456.42
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.70

Activity Summary

IC50 1 meas. best 4.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase alpha-6
CHEMBL4924
IC50 4.75 4.75 17627.0 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