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Compound Detail

CHEMBL3260040

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

Basic Information

ChEMBL ID CHEMBL3260040
Phase Preclinical
Structure Type MOL
InChI Key RLINZFLJHBERBO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.4
MW (Da)
4.73
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22BrNO4S
MW 464.38
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.43

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