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Compound Detail

CHEMBL4439743

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Cc1ccc(C(=O)C[C@H]2C(=O)N(C3CCCCC3)[C@H](c3cccnc3)C(=O)N2Cc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4439743
Phase Preclinical
Structure Type MOL
InChI Key DYZZGZRYVKMECC-LMSSTIIKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
5.28
ALogP
4
HBA
0
HBD
70.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H33N3O3
MW 495.62
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.70

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