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Compound Detail

CHEMBL477126

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CCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL477126
Phase Preclinical
Structure Type MOL
InChI Key KFHQFEDJGDXFSG-HJWRWDBZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
6.59
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.23
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H36O3
MW 360.54
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.79

Literature References

PubMed DOI Target Context # Activities
9677265 10.1021/np970367q 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 1

Data from ChEMBL 36 via Core Engine