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Compound Detail

CHEMBL5194312

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CCOc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3cccc(Cc4ccccc4)c3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5194312
Phase Preclinical
Structure Type MOL
InChI Key HPJBTGOFDCYOOS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

472.5
MW (Da)
4.54
ALogP
6
HBA
3
HBD
118.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24N2O6
MW 472.50
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
35507418 10.1021/acs.jmedchem.2c00144 Thyroid hormone receptor beta 1

Data from ChEMBL 36 via Core Engine