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Compound Detail

CHEMBL349076

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CC(Nc1cc(Cl)c(Oc2ccc(O)c(C(C)C)c2)c(Cl)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL349076
Phase Preclinical
Structure Type MOL
InChI Key LNFCAMOHEJAHKM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.3
MW (Da)
5.50
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.61
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19Cl2NO4
MW 384.26
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.37

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

Target Type Rel. Value Units pChEMBL Assay PubMed
Thyroid hormone receptor beta IC50 = 48.0 nM 7.32 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 1

Data from ChEMBL 36 via Core Engine