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Compound Detail

CHEMBL3261323

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CC(C)c1cc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)nn(C)c1=O

Basic Information

ChEMBL ID CHEMBL3261323
Phase Preclinical
Structure Type MOL
InChI Key OORLQBMJWSBLOY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

371.2
MW (Da)
3.63
ALogP
5
HBA
1
HBD
81.4
PSA (Ų)
0.87
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 C16H16Cl2N2O4
MW 371.22
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.64

Activity Summary

EC50 2 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thyroid hormone receptor alpha
CHEMBL1860
EC50 6.11 6.11 780.0 1
Thyroid hormone receptor beta
CHEMBL1947
EC50 6.11 6.11 770.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24712661 10.1021/jm4019299 Thyroid hormone receptor beta 2
24712661 10.1021/jm4019299 Thyroid hormone receptor alpha 2
24712661 10.1021/jm4019299 Unchecked 1

Data from ChEMBL 36 via Core Engine