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Compound Detail

CHEMBL2397759

5-O-METHYLLATIFOLIN
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C=C[C@H](c1ccccc1O)c1cc(OC)c(OC)cc1OC

Basic Information

ChEMBL ID CHEMBL2397759
Name 5-O-METHYLLATIFOLIN
Phase Preclinical
Structure Type MOL
InChI Key NKFNPUQSPATHPN-GFCCVEGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
3.74
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H20O4
MW 300.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.71

Activity Summary

IC50 1 meas. best 4.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 4.13 4.13 74000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 74000.0 nM 4.13 Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... 23743282

Literature References

PubMed DOI Target Context # Activities
19499920 10.1021/jf900719p Reticulitermes speratus 4
19499920 10.1021/jf900719p Fomitopsis palustris 2
19499920 10.1021/jf900719p Trametes versicolor 2
19499920 10.1021/jf900719p Cladosporium cladosporioides 1
19499920 10.1021/jf900719p Rhizopus arrhizus 1
23743282 10.1016/j.bmcl.2013.04.032 ADMET 1
23743282 10.1016/j.bmcl.2013.04.032 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine