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Compound Detail

CHEMBL3115282

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N#Cc1ccccc1Cn1c(=O)c(C(=O)NCC(=O)O)c(O)n(Cc2ccccc2)c1=O

Basic Information

ChEMBL ID CHEMBL3115282
Phase Preclinical
Structure Type MOL
InChI Key UEOZAJMNEFXOAC-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.4
MW (Da)
0.50
ALogP
8
HBA
3
HBD
154.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N4O6
MW 434.41
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.21

Activity Summary

EC50 1 meas. best 6.4
IC50 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl hydroxylase EGLN3
CHEMBL5705
IC50 9.1 9.1 0.8 1
Prolyl hydroxylase EGLN3
CHEMBL5705
EC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23977883 10.1021/jm400386j Prolyl hydroxylase EGLN3 2

Data from ChEMBL 36 via Core Engine