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Compound Detail

CHEMBL483107

PESTALOFICIOL C
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COC(C)(C)[C@H]1C[C@]12C1=C(C[C@H](O)[C@@H]2O)C(=O)CC(C)(C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL483107
Name PESTALOFICIOL C
Phase Preclinical
Structure Type MOL
InChI Key PTEAJHVZALZNSN-IMODNSLOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
1.57
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.81
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 C17H26O5
MW 310.39
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 2.21

Literature References

PubMed DOI Target Context # Activities
18468908 10.1016/j.bmc.2008.04.052 Human immunodeficiency virus 1 1
18468908 10.1016/j.bmc.2008.04.052 ADMET 1

Data from ChEMBL 36 via Core Engine