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Compound Detail

CHEMBL5751419

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COc1cc2c(OC[C@H]3NC(=O)C[C@H]3C)cccc2cc1C(N)=O

Basic Information

ChEMBL ID CHEMBL5751419
Phase Preclinical
Structure Type MOL
InChI Key UYNUIPFZIDSMRP-QMTHXVAHSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
1.85
ALogP
4
HBA
2
HBD
90.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O4
MW 328.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.18

Activity Summary

IC50 3 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 9.4 9.4 0.4 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine