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Compound Detail

CHEMBL348983

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CC(C)c1cc(Oc2c(Cl)cc(NC(=O)C(=O)O)cc2Cl)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL348983
Phase Preclinical
Structure Type MOL
InChI Key AWXVRFCTSCMHBS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

384.2
MW (Da)
4.64
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15Cl2NO5
MW 384.21
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.47

Activity Summary

IC50 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thyroid hormone receptor beta
CHEMBL3917
 IC50 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thyroid hormone receptor beta IC50 = 1.1 nM 8.96 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 Rattus norvegicus 3
7861417 10.1021/jm00004a015 Thyroid hormone receptor beta 2

Data from ChEMBL 36 via Core Engine