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Compound Detail

CHEMBL1078031

PESTALOFICIOL F
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CC(C)=CC[C@]12O[C@H]1[C@@H](O)CC1=C2OC(C)(C)CC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1078031
Name PESTALOFICIOL F
Phase Preclinical
Structure Type MOL
InChI Key DWRYREFBMYRRST-HZUKXOBISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
2.27
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H22O4
MW 278.35
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 3.14

Literature References

PubMed DOI Target Context # Activities
19618920 10.1021/np900308s Human immunodeficiency virus 1 1
19618920 10.1021/np900308s HeLa 1
19618920 10.1021/np900308s MCF7 1

Data from ChEMBL 36 via Core Engine