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Compound Detail

CHEMBL297540

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Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c(-c2ccccc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL297540
Phase Preclinical
Structure Type MOL
InChI Key LDXQUHBKDAHUTN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.8
MW (Da)
5.14
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18ClNO5
MW 411.84
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.54

Activity Summary

IC50 1 meas. best 9.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 9.77 9.77 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 0.17 nM 9.77 Inhibition of [125I]L-T3 binding to rat hepatic 3,5,3''-triiodo-L-thyronine rece... 10937719

Literature References

PubMed DOI Target Context # Activities
10937719 10.1016/s0960-894x(00)00309-7 Unchecked 1

Data from ChEMBL 36 via Core Engine