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Compound Detail

CHEMBL1080257

PESTALOFICIOL I
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CC1(C)CC(=O)C2=C(O1)C1=C[C@@H](C(C)(C)O)O[C@H]1[C@@H](O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1080257
Name PESTALOFICIOL I
Phase Preclinical
Structure Type MOL
InChI Key JYXSZFDEOPSZCU-VHRBIJSZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
1.24
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H22O5
MW 294.35
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 2.68

Activity Summary

IC50 1 meas.

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