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Compound Detail

CHEMBL5421542

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COc1c(SCC(=O)O)cc(NS(=O)(=O)c2ccc(C)cc2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5421542
Phase Preclinical
Structure Type MOL
InChI Key AQNKDCMQOBZMHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
4.13
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19NO5S2
MW 417.51
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.15

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