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Compound Detail

CHEMBL491841

LYCOGALIC ACID A
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O=C(O)c1[nH]c(C(=O)O)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL491841
Name LYCOGALIC ACID A
Phase Preclinical
Structure Type MOL
InChI Key FZDVNXHYGMEEDT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
4.71
ALogP
2
HBA
5
HBD
122.0
PSA (Ų)
0.31
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 C22H15N3O4
MW 385.38
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness 0.24

Activity Summary

IC50 1 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcription factor HES-1
CHEMBL1075292
IC50 5.22 5.22 6000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19716294 10.1016/j.bmcl.2009.07.146 Transcription factor HES-1 3
18842058 10.1021/np800286d Herpesviridae sp. 1

Data from ChEMBL 36 via Core Engine