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Compound Detail

CHEMBL570239

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CN1C(=O)/C(=N\c2ccc([N+](=O)[O-])cc2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL570239
Phase Preclinical
Structure Type MOL
InChI Key PYLUXVAFFHTNRU-PEZBUJJGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
2.69
ALogP
4
HBA
0
HBD
75.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11N3O3
MW 281.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 5.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transthyretin
CHEMBL3194
IC50 5.2 5.2 6300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transthyretin IC50 = 6300.0 nM 5.2 Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggr... 19651509

Literature References

PubMed DOI Target Context # Activities
19651509 10.1016/j.bmcl.2009.03.004 Transthyretin 3

Data from ChEMBL 36 via Core Engine