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Compound Detail

CHEMBL434476

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O=C(O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(C(O)c3ccc(Cl)cc3)c2)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL434476
Phase Preclinical
Structure Type MOL
InChI Key YKTQRPRPHNKHPF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

482.7
MW (Da)
5.25
ALogP
5
HBA
4
HBD
116.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14Cl3NO6
MW 482.70
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.49

Activity Summary

IC50 1 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thyroid hormone receptor beta
CHEMBL3917
IC50 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine