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Compound Detail

CHEMBL5415310

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COC(=O)CSc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5415310
Phase Preclinical
Structure Type MOL
InChI Key VFORQMKDNUDXAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

493.6
MW (Da)
5.58
ALogP
6
HBA
1
HBD
81.7
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23NO5S2
MW 493.61
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.97

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