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Compound Detail

CHEMBL493005

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O=C(OC1CCC[C@@H]2CCCC[C@H]12)c1cc(CO)cc(C(=O)OC2CCC[C@H]3CCCC[C@@H]23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493005
Phase Preclinical
Structure Type MOL
InChI Key YVGUBLNADARCND-RATLMIRKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
6.21
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H40O5
MW 468.63
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 0.55

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