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Compound Detail

CHEMBL5433291

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CC(C)c1ccc(-c2cccc(C(=O)N3CCCC(c4cccc(OC(C)(C)C(=O)O)c4)C3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5433291
Phase Preclinical
Structure Type MOL
InChI Key GGDNXSRYLPJLMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
6.74
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H35NO4
MW 485.62
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
36630177 10.1021/acs.jmedchem.2c01568 beta-catenin-B-cell lymphoma 9 protein complex 2

Data from ChEMBL 36 via Core Engine