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Compound Detail

CHEMBL5273258

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Cc1ccc([C@@H](NC(=O)[C@H](O)c2ccccc2)[C@@H](C)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5273258
Phase Preclinical
Structure Type MOL
InChI Key AAXNQDQDUXTSTL-XOKHGSTOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
2.61
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO4
MW 327.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
37197451 10.1021/acsmedchemlett.3c00067 Keap1/Nrf2 1
37197451 10.1021/acsmedchemlett.3c00067 ADMET 1

Data from ChEMBL 36 via Core Engine