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Compound Detail

CHEMBL1778820

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CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@]2(CO)COC(=O)CCCCCCCCCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1778820
Phase Preclinical
Structure Type MOL
InChI Key RLOBHSLRMGKASQ-UUWRZZSWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

560.8
MW (Da)
8.81
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.10
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H56O6
MW 560.82
Aromatic Rings 1
Heavy Atoms 40
NP-Likeness 0.40

Literature References

PubMed DOI Target Context # Activities
21596562 10.1016/j.bmcl.2011.04.108 Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine