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Compound Detail

CHEMBL4872865

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Nc1ccc(O)c2c1C(=O)c1c(O)c(S(=O)(=O)[O-])cc(N)c1C2=O.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4872865
Phase Preclinical
Structure Type MOL
InChI Key CKMPIIPZKJISCU-UHFFFAOYSA-M
Parent Compound CHEMBL435920
Active Moiety CHEMBL435920
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
0.28
ALogP
8
HBA
5
HBD
181.0
PSA (Ų)
0.23
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 C14H9N2NaO7S
MW 372.29
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.58

Literature References

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

Data from ChEMBL 36 via Core Engine