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Compound Detail

CHEMBL5938981

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CC(C)Oc1cc2c(OC[C@@H]3NC(=O)[C@@H](F)C34CC4)nccc2cc1C(N)=O

Basic Information

ChEMBL ID CHEMBL5938981
Phase Preclinical
Structure Type MOL
InChI Key XIQIABFZTSHPQF-JKSUJKDBSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
2.12
ALogP
5
HBA
2
HBD
103.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22FN3O4
MW 387.41
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.20

Activity Summary

IC50 2 meas. best 6.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 6.41 5.88 390.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine