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Compound Detail

CHEMBL494179

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CC(C)(C)c1ccc(COC(=O)c2cc(CO)cc(C(=O)OCc3ccc(C(C)(C)C)cc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL494179
Phase Preclinical
Structure Type MOL
InChI Key OYCVUZKBRHMGAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

488.6
MW (Da)
6.49
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.39
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 C31H36O5
MW 488.62
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.22

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