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Compound Detail

CHEMBL5860278

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CC(C)C[C@](C)(N)COc1ccc(-c2ccnc(C(F)F)n2)nc1C(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5860278
Phase Preclinical
Structure Type MOL
InChI Key DOIVBOYNRGAHPO-SFHVURJKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
4.56
ALogP
5
HBA
1
HBD
73.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22F4N4O
MW 386.39
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.64

Activity Summary

IC50 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AP2-associated protein kinase 1
CHEMBL3830
 IC50 9.3 9.3 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
AP2-associated protein kinase 1 IC50 = 0.5 nM 9.3 AAK1 Kinase Assay: The assays were performed in U-bottom 384-well plates. The fi... -

Data from ChEMBL 36 via Core Engine