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Compound Detail

CHEMBL5770229

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O=C(O)CNC(=O)c1ncc(C#CCOc2cccc3ncccc23)cc1O

Basic Information

ChEMBL ID CHEMBL5770229
Phase Preclinical
Structure Type MOL
InChI Key FOTRMCSWHVXCBP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
1.58
ALogP
6
HBA
3
HBD
121.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N3O5
MW 377.36
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.80

Activity Summary

IC50 2 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 6.39 6.39 405.0 1
Prolyl hydroxylase EGLN3
CHEMBL5705
IC50 6.11 6.11 772.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine