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Compound Detail

CHEMBL5930966

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CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1cccc2cc(C(N)=O)c(OC)nc12

Basic Information

ChEMBL ID CHEMBL5930966
Phase Preclinical
Structure Type MOL
InChI Key KNLLETNQZOBJHR-SUHUHFCYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
1.58
ALogP
5
HBA
2
HBD
103.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20FN3O4
MW 361.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.18

Activity Summary

IC50 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 8.7 8.41 2.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine