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Compound Detail

CHEMBL5941437

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COc1cc2c(OC[C@@H]3COC(=O)N3)cccc2cc1C(N)=O

Basic Information

ChEMBL ID CHEMBL5941437
Phase Preclinical
Structure Type MOL
InChI Key UWIFAKOTYQPFJH-SNVBAGLBSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
1.43
ALogP
5
HBA
2
HBD
99.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2O5
MW 316.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.08

Activity Summary

IC50 3 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 9.52 9.52 0.3 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine