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Compound Detail

CHEMBL5281233

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N#Cc1nn(-c2cc(Cl)c(-n3ccc4ccc(O)cc43)c(Cl)c2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5281233
Phase Preclinical
Structure Type MOL
InChI Key HHRQVHZZLFKWRK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

414.2
MW (Da)
2.75
ALogP
7
HBA
2
HBD
116.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H9Cl2N5O3
MW 414.21
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
36799411 10.1021/acs.jmedchem.2c01669 Thyroid hormone receptor alpha 1
36799411 10.1021/acs.jmedchem.2c01669 Thyroid hormone receptor beta 1
36799411 10.1021/acs.jmedchem.2c01669 Unchecked 1

Data from ChEMBL 36 via Core Engine