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Compound Detail

CHEMBL3260036

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

Basic Information

ChEMBL ID CHEMBL3260036
Phase Preclinical
Structure Type MOL
InChI Key OMKBCMGEXLSXCV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

496.4
MW (Da)
4.68
ALogP
6
HBA
1
HBD
81.7
PSA (Ų)
0.38
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 C20H18BrNO5S2
MW 496.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
24749893 10.1021/jm500010b HL-60 5
24749893 10.1021/jm500010b Induced myeloid leukemia cell differentiation protein Mcl-1 4
24749893 10.1021/jm500010b MV4-11 2
24749893 10.1021/jm500010b K562 2
24749893 10.1021/jm500010b Apoptosis regulator Bcl-2 1

Data from ChEMBL 36 via Core Engine