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Compound Detail

CHEMBL3128152

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CCOC(=O)C1=C(/C=C/N(C)C)C(C)(C)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3128152
Phase Preclinical
Structure Type MOL
InChI Key QZNPVPXWXFOKNP-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
1.26
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19NO4
MW 253.30
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.28

Literature References

PubMed DOI Target Context # Activities
24534487 10.1016/j.bmcl.2014.01.072 Unchecked 3
24534487 10.1016/j.bmcl.2014.01.072 Cathepsin B 1
24534487 10.1016/j.bmcl.2014.01.072 Calpain-1 catalytic subunit 1

Data from ChEMBL 36 via Core Engine