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Compound Detail

CHEMBL5440543

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CC(C)(Oc1cccc(C2CCCN(S(=O)(=O)c3cccc(-c4cccs4)c3)C2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5440543
Phase Preclinical
Structure Type MOL
InChI Key IXUAXCWUFAFORA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
5.23
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27NO5S2
MW 485.63
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.47

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