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Compound Detail

CHEMBL389650

ABYSSINOFLAVANONE VI
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CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2ccoc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL389650
Name ABYSSINOFLAVANONE VI
Phase Preclinical
Structure Type MOL
InChI Key MXJNLOCPZJNQMY-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
5.06
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.64
QED
1
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 C22H20O5
MW 364.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 2.30

Activity Summary

IC50 1 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein phosphatase non-receptor type 1
CHEMBL335
 IC50 4.72 4.72 18900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein phosphatase non-receptor type 1 IC50 = 18900.0 nM 4.72 Inhibition of human recombinant PTP1B 17489632

Literature References

PubMed DOI Target Context # Activities
17489632 10.1021/np060477+ Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine