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Compound Detail

CHEMBL5596618

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CC(C)c1cc(Oc2c(Cl)cc(-n3nc(-c4ccccn4)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5596618
Phase Preclinical
Structure Type MOL
InChI Key UNADITXKEXNMSR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

487.3
MW (Da)
3.29
ALogP
8
HBA
2
HBD
135.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16Cl2N6O4
MW 487.30
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.19

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