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Compound Detail

CHEMBL5747924

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CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC3CC3)cc2C1=O

Basic Information

ChEMBL ID CHEMBL5747924
Phase Preclinical
Structure Type MOL
InChI Key JZGBDVBGAVSSCF-HXUWFJFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
2.84
ALogP
7
HBA
2
HBD
109.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26FN5O4
MW 467.50
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.22

Activity Summary

Ki 1 meas. best 9.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 9.08 9.08 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine