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Compound Detail

CHEMBL6034612

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

Basic Information

ChEMBL ID CHEMBL6034612
Phase Preclinical
Structure Type MOL
InChI Key GJQPRSMDPCTEMC-ZBINZKHDSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
1.53
ALogP
5
HBA
2
HBD
103.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
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 -0.11

Activity Summary

IC50 3 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 10.0 10.0 0.1 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine