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Compound Detail

CHEMBL4846978

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CC(C)C1OC(=O)N(C2CCCC2)c2nc(Nc3ccc(O)c(F)c3)ncc21

Basic Information

ChEMBL ID CHEMBL4846978
Phase Preclinical
Structure Type MOL
InChI Key JDRBAWVQKUGQAM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
4.66
ALogP
6
HBA
2
HBD
87.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23FN4O3
MW 386.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.64

Activity Summary

IC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase alpha-6
CHEMBL4924
IC50 7.75 7.75 18.0 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