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Compound Detail

CHEMBL570930

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Cc1ccc(/N=C2\C(=O)N(C)c3ccccc32)cc1

Basic Information

ChEMBL ID CHEMBL570930
Phase Preclinical
Structure Type MOL
InChI Key ISVODKXPQNTMCZ-ICFOKQHNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
3.09
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O
MW 250.30
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.13

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