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Compound Detail

CHEMBL350336

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CC(C)c1cc(Oc2ccc(NC(=O)C(=O)O)cc2)ccc1O

Basic Information

ChEMBL ID CHEMBL350336
Phase Preclinical
Structure Type MOL
InChI Key IYFXIQOKIGTZTQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.3
MW (Da)
3.33
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17NO5
MW 315.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.34

Activity Summary

IC50 1 meas. best 7.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thyroid hormone receptor beta
CHEMBL3917
IC50 7.32 7.32 48.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7861417 10.1021/jm00004a015 Thyroid hormone receptor beta 2

Data from ChEMBL 36 via Core Engine