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Compound Detail

CHEMBL1079364

PESTALOFICIOL G/H
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CC(C)=CCC1C2=C(C[C@H](O)[C@@H]1O)C(=O)CC(C)(C)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1079364
Name PESTALOFICIOL G/H
Phase Preclinical
Structure Type MOL
InChI Key CUINTIYPFNXGBV-BNPZDMCGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
2.11
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.76
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 C16H24O4
MW 280.36
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 2.77

Activity Summary

EC50 1 meas. best 4.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
 EC50 4.05 4.05 89200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 89200.0 nM 4.05 Antiviral activity against HIV1 infected human C8166 cells assessed as inhibitio... 19618920

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