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Compound Detail

CHEMBL5208263

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O=C(O)CNC(=O)c1nc(OC2CCCC2)c2cc(Oc3ccccc3)ccc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5208263
Phase Preclinical
Structure Type MOL
InChI Key AQJXNQGVCBGGKS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
3.87
ALogP
6
HBA
3
HBD
118.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O6
MW 422.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
35507418 10.1021/acs.jmedchem.2c00144 Thyroid hormone receptor beta 2

Data from ChEMBL 36 via Core Engine