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Compound Detail

CHEMBL5791112

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CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)cccc2cc1C(N)=O

Basic Information

ChEMBL ID CHEMBL5791112
Phase Preclinical
Structure Type MOL
InChI Key MWORYDURXNENTP-ZDUSSCGKSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
2.38
ALogP
4
HBA
2
HBD
90.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2O4
MW 342.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.34

Activity Summary

IC50 3 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 9.15 9.15 0.7 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine