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Compound Detail

CHEMBL2164963

SIAMCHROMONES F
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CC1(C)C=Cc2c(cc(O)c3c(=O)cc(CCCO)oc23)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2164963
Name SIAMCHROMONES F
Phase Preclinical
Structure Type MOL
InChI Key LSTSJVTZHUDXHI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
2.61
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H18O5
MW 302.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 2.71

Activity Summary

IC50 1 meas. best 4.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tobacco mosaic virus
CHEMBL613818
 IC50 4.51 4.51 31200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tobacco mosaic virus IC50 = 31200.0 nM 4.51 Antiviral activity against Tobacco mosaic virus infected in right side leaf of N... 23078294

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