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Compound Detail

CHEMBL5956795

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COc1cc2c(OC[C@@H]3C[C@H](F)C(=O)N3)nccc2cc1C(N)=O

Basic Information

ChEMBL ID CHEMBL5956795
Phase Preclinical
Structure Type MOL
InChI Key REOZKMNWRPKFGC-CABZTGNLSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.3
MW (Da)
0.95
ALogP
5
HBA
2
HBD
103.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16FN3O4
MW 333.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.21

Activity Summary

IC50 3 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 9.05 9.05 0.9 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine