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Compound Detail

CHEMBL5597882

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CNCc1nn(-c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5597882
Phase Preclinical
Structure Type MOL
InChI Key CTAYVMAPDOPBMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

453.3
MW (Da)
1.95
ALogP
8
HBA
3
HBD
134.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18Cl2N6O4
MW 453.29
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.05

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
39221768 10.1021/acs.jmedchem.4c01029 Unchecked 1

Data from ChEMBL 36 via Core Engine