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Compound Detail

CHEMBL4443061

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COc1ccc(C(C(=O)NC2CCCCC2)N(CC(C)C)C(=O)/C=C/C(=O)c2ccc(C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4443061
Phase Preclinical
Structure Type MOL
InChI Key TYNGXQXBDWFQJC-VHEBQXMUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
5.42
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N2O4
MW 490.64
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -1.00

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