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Compound Detail

CHEMBL124527

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CCOc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)O)cn3)nc2)cc1

Basic Information

ChEMBL ID CHEMBL124527
Phase Preclinical
Structure Type MOL
InChI Key UBYXPZXRXSCDOB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
3.49
ALogP
5
HBA
2
HBD
101.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3O4
MW 363.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transmembrane prolyl 4-hydroxylase
CHEMBL3047
IC50 6.5 6.5 320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8254616 10.1021/jm00076a014 Transmembrane prolyl 4-hydroxylase 1

Data from ChEMBL 36 via Core Engine