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Compound Detail

CHEMBL5984035

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CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)cc2O1

Basic Information

ChEMBL ID CHEMBL5984035
Phase Preclinical
Structure Type MOL
InChI Key WFQAMUFXBXJWTQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.5
MW (Da)
3.08
ALogP
7
HBA
1
HBD
75.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26F2N6O2
MW 456.50
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.69

Activity Summary

Ki 2 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 8.64 8.11 2.3 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine