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Compound Detail

CHEMBL3781985

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COC(=O)c1cc(S(=O)(=O)N(CC(C)C)c2ccc(Br)cc2)c2ccccc2c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3781985
Phase Preclinical
Structure Type MOL
InChI Key XMHYSWBOBHFKCF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

506.4
MW (Da)
5.25
ALogP
5
HBA
0
HBD
72.9
PSA (Ų)
0.41
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24BrNO5S
MW 506.42
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
26985630 10.1016/j.ejmech.2016.02.006 Induced myeloid leukemia cell differentiation protein Mcl-1 1

Data from ChEMBL 36 via Core Engine