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Compound Detail

CHEMBL5808055

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CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(F)(CN)CC3)cc2O1

Basic Information

ChEMBL ID CHEMBL5808055
Phase Preclinical
Structure Type MOL
InChI Key HDBIXGOKMHALJP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
2.96
ALogP
7
HBA
2
HBD
97.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27FN6O2
MW 438.51
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.16

Activity Summary

Ki 1 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 8.89 8.89 1.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine