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Compound Detail

CHEMBL3781188

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COC(=O)c1cc(S(=O)(=O)N(CC(C)C)c2ccc(OC(C)C)cc2)c2ccccc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3781188
Phase Preclinical
Structure Type MOL
InChI Key FQSXQDFRRFMJDA-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
4.97
ALogP
6
HBA
1
HBD
93.1
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 C25H29NO6S
MW 471.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.89

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
26985630 10.1016/j.ejmech.2016.02.006 Induced myeloid leukemia cell differentiation protein Mcl-1 1
26985630 10.1016/j.ejmech.2016.02.006 A-375 1
26985630 10.1016/j.ejmech.2016.02.006 SK-MEL-5 1

Data from ChEMBL 36 via Core Engine