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Compound Detail

CHEMBL3260037

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

Basic Information

ChEMBL ID CHEMBL3260037
Phase Preclinical
Structure Type MOL
InChI Key VWBJOXVNNTZTNJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.4
MW (Da)
3.99
ALogP
5
HBA
2
HBD
98.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17BrN2O4S2
MW 481.39
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
24749893 10.1021/jm500010b Induced myeloid leukemia cell differentiation protein Mcl-1 2

Data from ChEMBL 36 via Core Engine