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Compound Detail

CHEMBL2376293

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O=C1OC2(CCCCC2)c2ccn(CC(O)c3ccccc3)c(=O)c21

Basic Information

ChEMBL ID CHEMBL2376293
Phase Preclinical
Structure Type MOL
InChI Key AOLYAWMJFCYCNY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.91
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO4
MW 339.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.09

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.92 4.92 11900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 11900.0 nM 4.92 Inhibition of caspase-like activity of 20S proteasome in rabbit erythrocytes usi... 23541650

Literature References

PubMed DOI Target Context # Activities
23541650 10.1016/j.bmcl.2013.02.079 Unchecked 3
23541650 10.1016/j.bmcl.2013.02.079 Cathepsin B 1

Data from ChEMBL 36 via Core Engine