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Compound Detail

CHEMBL493003

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O=C(OCc1cccc(Cl)c1)c1cc(CO)cc(C(=O)OCc2cccc(Cl)c2)c1

Basic Information

ChEMBL ID CHEMBL493003
Phase Preclinical
Structure Type MOL
InChI Key GDJMEKGQFIQOJX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

445.3
MW (Da)
5.20
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18Cl2O5
MW 445.30
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.38

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