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Compound Detail

CHEMBL468923

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O=C(OCC1CC2CCC1C2)c1cc(CO)cc(C(=O)OCC2CC3CCC2C3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468923
Phase Preclinical
Structure Type MOL
InChI Key NLHFLNGHBNUOLE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.36
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32O5
MW 412.53
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 0.27

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