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Compound Detail

CHEMBL420149

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O=C(NS(=O)(=O)c1ccccc1)c1ccc(-c2ccccn2)nc1

Basic Information

ChEMBL ID CHEMBL420149
Phase Preclinical
Structure Type MOL
InChI Key NWPZFVPRMXCHOG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.26
ALogP
5
HBA
1
HBD
89.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13N3O3S
MW 339.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.45

Activity Summary

IC50 1 meas. best 4.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transmembrane prolyl 4-hydroxylase
CHEMBL3047
IC50 4.47 4.47 33800.0 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