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Compound Detail

CHEMBL5818320

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CC(C)C[C@](C)(N)COc1ccc(-c2ccnc3cc(F)cc(F)c23)cc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL5818320
Phase Preclinical
Structure Type MOL
InChI Key HJBSVLDJABXCTF-QFIPXVFZSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
6.34
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23F5N2O
MW 438.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.62

Activity Summary

IC50 6 meas. best 9.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AP2-associated protein kinase 1
CHEMBL3830
IC50 9.28 9.28 0.5 6

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine