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Compound Detail

CHEMBL5922197

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CC(C)C[C@](C)(N)COc1ncc(-c2ccnc3ccccc23)cc1Cl

Basic Information

ChEMBL ID CHEMBL5922197
Phase Preclinical
Structure Type MOL
InChI Key IGJJATQUVSNMJD-NRFANRHFSA-N
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.9
MW (Da)
5.09
ALogP
4
HBA
1
HBD
61.0
PSA (Ų)
0.66
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24ClN3O
MW 369.90
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.59

Activity Summary

IC50 5 meas. best 9.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AP2-associated protein kinase 1
CHEMBL3830
IC50 9.31 9.31 0.5 5

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine