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Compound Detail

CHEMBL5394425

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COc1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(OC)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5394425
Phase Preclinical
Structure Type MOL
InChI Key WJDAEOAUFJXBEK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
3.83
ALogP
6
HBA
2
HBD
101.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19NO6S2
MW 433.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
38373466 10.1016/j.bmcl.2024.129658 Bcl-2-related protein A1 1
38373466 10.1016/j.bmcl.2024.129658 Induced myeloid leukemia cell differentiation protein Mcl-1 1

Data from ChEMBL 36 via Core Engine