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Compound Detail

CHEMBL167156

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O=C(O)/C=C/c1ccc(C(=O)O)nc1

Basic Information

ChEMBL ID CHEMBL167156
Phase Preclinical
Structure Type MOL
InChI Key KAOGFIZJQHPDKG-DUXPYHPUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
0.88
ALogP
3
HBA
2
HBD
87.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H7NO4
MW 193.16
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.04

Activity Summary

IC50 1 meas. best 4.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transmembrane prolyl 4-hydroxylase
CHEMBL3047
IC50 4.97 4.97 10600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transmembrane prolyl 4-hydroxylase IC50 = 10600.0 nM 4.97 Inhibition of prolyl 4-hydroxylase 1312598

Literature References

PubMed DOI Target Context # Activities
1312598 10.1021/jm00083a001 Transmembrane prolyl 4-hydroxylase 1

Data from ChEMBL 36 via Core Engine