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Compound Detail

CHEMBL4447931

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Cc1ccc(C(=O)/C=C/C(=O)N(CC(C)C)C(C(=O)NC(C)(C)C)C(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4447931
Phase Preclinical
Structure Type MOL
InChI Key TXHGAEJPLOFESS-CCEZHUSRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
4.55
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H38N2O3
MW 414.59
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
31400708 10.1016/j.ejmech.2019.111580 Thioredoxin reductase 1, cytoplasmic 3

Data from ChEMBL 36 via Core Engine