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Compound Detail

CHEMBL5907833

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CC(C)C[C@](C)(N)COc1ncc(-c2ccnc3cc(F)cc(F)c23)cc1C(F)F

Basic Information

ChEMBL ID CHEMBL5907833
Phase Preclinical
Structure Type MOL
InChI Key WIIALNVSHHTFFZ-QFIPXVFZSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
5.65
ALogP
4
HBA
1
HBD
61.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23F4N3O
MW 421.44
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.69

Activity Summary

IC50 6 meas. best 9.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AP2-associated protein kinase 1
CHEMBL3830
IC50 9.19 9.19 0.6 6

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine