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Compound Detail

CHEMBL2159852

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O=C(COC(=O)c1ccc(NC(=O)c2cccc(O)c2)cc1)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2159852
Phase Preclinical
Structure Type MOL
InChI Key WVBXAXVBWKEIBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.8
MW (Da)
4.34
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16ClNO5
MW 409.83
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.99

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