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Compound Detail

CHEMBL445702

LONGISTYLINE C
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COc1cc(O)cc(/C=C/c2ccccc2)c1CC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL445702
Name LONGISTYLINE C
Phase Preclinical
Structure Type MOL
InChI Key NFAWEPOBHKEHPO-ZHACJKMWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
5.08
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.62
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H22O2
MW 294.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.52

Activity Summary

EC50 1 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.08 5.08 8370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 8370.0 nM 5.08 Antiviral activity against HCV subtype 2a J6/JFH/JC1 infected in human Huh7.5 ce... 27783522

Literature References

PubMed DOI Target Context # Activities
27783522 10.1021/acs.jmedchem.6b01301 Unchecked 3
11421729 10.1021/np000597w Cladosporium cucumerinum 2
11421729 10.1021/np000597w Aedes aegypti 1

Data from ChEMBL 36 via Core Engine