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Compound Detail

CHEMBL6043665

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CC(C)C[C@](C)(N)COc1ncc(-c2ccnc3cc(Cl)ccc23)cc1C(F)F

Basic Information

ChEMBL ID CHEMBL6043665
Phase Preclinical
Structure Type MOL
InChI Key OKSLIDNQBOADCD-QFIPXVFZSA-N
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.9
MW (Da)
6.03
ALogP
4
HBA
1
HBD
61.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClF2N3O
MW 419.90
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.66

Activity Summary

IC50 5 meas. best 9.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AP2-associated protein kinase 1
CHEMBL3830
IC50 9.51 9.51 0.3 5

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine