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Compound Detail

CHEMBL5821491

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O=C(O)CNC(=O)c1ncc(C#CCOc2cccc(OC3CC3)c2)cc1O

Basic Information

ChEMBL ID CHEMBL5821491
Phase Preclinical
Structure Type MOL
InChI Key ZMWGREIGIVODSN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
1.57
ALogP
6
HBA
3
HBD
118.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N2O6
MW 382.37
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.55

Activity Summary

IC50 2 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl hydroxylase EGLN3
CHEMBL5705
IC50 7.0 7.0 101.0 1
Egl nine homolog 1
CHEMBL5697
IC50 6.31 6.31 489.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine