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Compound Detail

CHEMBL513861

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CCCCC(CC)COC(=O)c1cc(CO)cc(C(=O)OCC(CC)CCCC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL513861
Phase Preclinical
Structure Type MOL
InChI Key JZADKPADDWZGKB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.6
MW (Da)
5.93
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H40O5
MW 420.59
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 0.28

Literature References

PubMed DOI Target Context # Activities
19438240 10.1021/jm900229p Protein kinase C alpha type 2
19438240 10.1021/jm900229p Protein kinase C delta type 2

Data from ChEMBL 36 via Core Engine