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Compound Detail

CHEMBL159334

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O=C(O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(C(=O)c3ccc(F)cc3)c2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL159334
Phase Preclinical
Structure Type MOL
InChI Key XVVTZORFWQJUJQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.2
MW (Da)
4.88
ALogP
5
HBA
3
HBD
112.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H12Cl2FNO6
MW 464.23
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.84

Activity Summary

IC50 1 meas. best 9.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thyroid hormone receptor beta
CHEMBL3917
 IC50 9.43 9.43 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thyroid hormone receptor beta IC50 = 0.37 nM 9.43 In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine... 7861417

Literature References

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

Data from ChEMBL 36 via Core Engine