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Compound Detail

CHEMBL5918440

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CNC(=O)c1nc2ccnc(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5918440
Phase Preclinical
Structure Type MOL
InChI Key WKFUEMWSFHKSLG-KDDOJWQBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
0.85
ALogP
6
HBA
2
HBD
102.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19FN4O4
MW 362.36
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.37

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
 IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 receptor-associated kinase 4 IC50 = 2000.0 nM 5.7 IRAK4 Enzymatic DELFIA Assay, Protocol B: This is an in vitro assay to measure I... -

Data from ChEMBL 36 via Core Engine