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Compound Detail

CHEMBL5793144

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COc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3CF)nccc2cc1C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5793144
Phase Preclinical
Structure Type MOL
InChI Key QPIGZYPYOSJOSX-OUCADQQQSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

365.3
MW (Da)
1.14
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 C17H17F2N3O4
MW 365.34
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.09

Activity Summary

IC50 3 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
 IC50 9.52 9.52 0.3 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 receptor-associated kinase 4 IC50 = 0.3 nM 9.52 IRAK4 Enzymatic DELFIA Assay, Protocol A: This is an in vitro assay to measure I... -
Interleukin-1 receptor-associated kinase 4 IC50 = 0.3 nM 9.52 Enzymatic DELFIA Assay: Protocol B: To begin the assay, 45 μL of reaction mixtur... -
Interleukin-1 receptor-associated kinase 4 IC50 = 0.3 nM 9.52 IRAK4 Enzymatic DELFIA Assay, Protocol A: This is an in vitro assay to measure I... -

Data from ChEMBL 36 via Core Engine