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Compound Detail

CHEMBL4870376

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Nc1c(O)c(S(=O)(=O)[O-])c(O)c2c1C(=O)c1ccccc1C2=O.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4870376
Phase Preclinical
Structure Type MOL
InChI Key IFSXZLJQEKGQAF-UHFFFAOYSA-M
Parent Compound CHEMBL5028838
Active Moiety CHEMBL5028838
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.3
MW (Da)
0.70
ALogP
7
HBA
4
HBD
155.0
PSA (Ų)
0.22
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8NNaO7S
MW 357.28
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.34

Activity Summary

IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transthyretin
CHEMBL3194
 IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transthyretin IC50 = 11000.0 nM 4.96 Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expr... 34225167

Literature References

PubMed DOI Target Context # Activities
34225167 10.1016/j.bmc.2021.116292 Transthyretin 1

Data from ChEMBL 36 via Core Engine