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Compound Detail

CHEMBL479230

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

Basic Information

ChEMBL ID CHEMBL479230
Phase Preclinical
Structure Type MOL
InChI Key MLFGXSMQVPYZCU-KTKRTIGZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.6
MW (Da)
6.81
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.14
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H38O4
MW 402.58
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.69

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