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Compound Detail

CHEMBL2164949

PERFORATIC ACID
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COc1cc2c(c3oc(C(=O)O)cc(=O)c13)C=CC(C)(C)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2164949
Name PERFORATIC ACID
Phase Preclinical
Structure Type MOL
InChI Key CYENPHRRKQQAOP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
2.68
ALogP
5
HBA
1
HBD
86.0
PSA (Ų)
0.92
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 C16H14O6
MW 302.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 2.10

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23078294 10.1021/np300395m Tobacco mosaic virus 8
23078294 10.1021/np300395m ADMET 1
23078294 10.1021/np300395m C8166 1
23078294 10.1021/np300395m Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine