Compound Detail

CHEMBL160883

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Cc1oc2ccccc2c1C(=O)c1cc(I)c(OCC(=O)O)c(I)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL160883
Phase	Preclinical
Structure Type	MOL
InChI Key	LCTMPMFLXABADB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

562.1

MW (Da)

4.64

ALogP

HBA

HBD

76.7

PSA (Å²)

0.36

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 6.35

IC50 2 meas. best 6.32

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
CHO-K1 CHEMBL614031	EC50	6.35	6.06	450.0	2
Thyroid hormone receptor beta CHEMBL1947	IC50	6.32	6.32	480.0	1
Thyroid hormone receptor alpha CHEMBL1860	IC50	6.09	6.09	820.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
CHO-K1	EC50	=	450.0	nM	6.35	Agonism of compound towards thyroid response element (TRAF alpha) in CHO-K1 cell...	11806713
Thyroid hormone receptor beta	IC50	=	480.0	nM	6.32	Concentration required to inhibit 50% of binding of [125I]T3 to human Thyroid ho...	11806713
Thyroid hormone receptor alpha	IC50	=	820.0	nM	6.09	Concentration required to inhibit 50% of binding of [125I]-T3 to human Thyroid h...	11806713
CHO-K1	EC50	=	1700.0	nM	5.77	Agonism of compound towards thyroid response element (TRAF beta) in CHO-K1 cells	11806713

PubMed	DOI	Target Context	# Activities
11806713	10.1021/jm001126+	CHO-K1	5
11806713	10.1021/jm001126+	Thyroid hormone receptor alpha	1
11806713	10.1021/jm001126+	Thyroid hormone receptor beta	1

Data from ChEMBL 36 via Core Engine