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Compound Detail

CHEMBL2159855

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COc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3)cc2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2159855
Phase Preclinical
Structure Type MOL
InChI Key CDXDZTZPLXPWFS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.9
MW (Da)
4.65
ALogP
6
HBA
1
HBD
90.9
PSA (Ų)
0.39
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 C24H20ClNO6
MW 453.88
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
23044371 10.1016/j.bmcl.2012.09.037 Sentrin-specific protease 1 1

Data from ChEMBL 36 via Core Engine