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Compound Detail

CHEMBL352126

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

Basic Information

ChEMBL ID CHEMBL352126
Phase Preclinical
Structure Type MOL
InChI Key HGVUYPTYICEYMV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
4.42
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.73
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 C19H23NO4
MW 329.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.23

Activity Summary

IC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thyroid hormone receptor beta
CHEMBL3917
 IC50 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thyroid hormone receptor beta IC50 = 12.0 nM 7.92 Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine rec... 7861417

Literature References

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

Data from ChEMBL 36 via Core Engine