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Compound Detail

CHEMBL5290804

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COc1ccc2c(ccn2-c2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5290804
Phase Preclinical
Structure Type MOL
InChI Key OQEIQUOAQQFLAI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

428.2
MW (Da)
3.05
ALogP
7
HBA
1
HBD
105.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H11Cl2N5O3
MW 428.24
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.31

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