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Compound Detail

CHEMBL5986326

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CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)C1(F)F

Basic Information

ChEMBL ID CHEMBL5986326
Phase Preclinical
Structure Type MOL
InChI Key QHXVLUKBUNSIRG-QWHCGFSZSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
1.88
ALogP
5
HBA
2
HBD
103.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19F2N3O4
MW 379.36
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.06

Activity Summary

IC50 3 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 9.7 9.7 0.2 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine