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Compound Detail

CHEMBL339068

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CC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)C=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL339068
Phase Preclinical
Structure Type MOL
InChI Key UHWIZIJICYWABA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
4.39
ALogP
7
HBA
0
HBD
92.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H26O7
MW 426.47
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 1.94

Activity Summary

EC50 1 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
 EC50 5.33 5.33 4700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 4700.0 nM 5.33 Anti-HIV activity in acutely infected H9 lymphocytes. 7525962

Literature References

PubMed DOI Target Context # Activities
7525962 10.1021/jm00049a014 Human immunodeficiency virus 1 2

Data from ChEMBL 36 via Core Engine