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Compound Detail

CHEMBL5597744

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CC(C)c1cc(Oc2c(Cl)cc(-n3nc(Cn4ccnc4)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5597744
Phase Preclinical
Structure Type MOL
InChI Key VUSGFMNSMCRUNS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

490.3
MW (Da)
2.47
ALogP
9
HBA
2
HBD
140.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17Cl2N7O4
MW 490.31
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
39221768 10.1021/acs.jmedchem.4c01029 Thyroid hormone receptor alpha 1
39221768 10.1021/acs.jmedchem.4c01029 Thyroid hormone receptor beta 1

Data from ChEMBL 36 via Core Engine