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Compound Detail

CHEMBL5823275

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CC(C)C[C@](C)(N)COc1ccc(-c2ccnc3ccncc23)cc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL5823275
Phase Preclinical
Structure Type MOL
InChI Key WJLQUMMDKPAJCH-NRFANRHFSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
5.46
ALogP
4
HBA
1
HBD
61.0
PSA (Ų)
0.59
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24F3N3O
MW 403.45
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.45

Activity Summary

IC50 6 meas. best 9.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AP2-associated protein kinase 1
CHEMBL3830
IC50 9.49 9.49 0.3 6

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine