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Compound Detail

CHEMBL1829395

HYPOLAETIN
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O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12

Basic Information

ChEMBL ID CHEMBL1829395
Name HYPOLAETIN
Phase Preclinical
Structure Type MOL
InChI Key ASOIXDIITRKTOX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.2
MW (Da)
1.99
ALogP
7
HBA
5
HBD
131.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H10O7
MW 302.24
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 1.63

Activity Summary

IC50 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.8 4.8 15700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 15700.0 nM 4.8 Inhibition of dephosphorylated glycogen phosphorylase 21856048

Literature References

PubMed DOI Target Context # Activities
21856048 10.1016/j.ejmech.2011.07.059 Unchecked 1
- 10.1007/s00044-011-9570-z Avian myoblastosis virus polyprotein II 1

Data from ChEMBL 36 via Core Engine