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Compound Detail

CHEMBL163994

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Cc1cc(CCC(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL163994
Phase Preclinical
Structure Type MOL
InChI Key XYJMLWQDXXLPMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
4.94
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24O4
MW 328.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
7861417 10.1021/jm00004a015 Thyroid hormone receptor beta 1

Data from ChEMBL 36 via Core Engine