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Compound Detail

CHEMBL225698

HEXAMETHOXYFLAVONE
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COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC

Basic Information

ChEMBL ID CHEMBL225698
Name HEXAMETHOXYFLAVONE
Phase Preclinical
Structure Type MOL
InChI Key CHXSDKWBSFDZEU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
3.51
ALogP
8
HBA
0
HBD
85.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H22O8
MW 402.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.83

Activity Summary

IC50 1 meas. best 4.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HL-60
CHEMBL383
IC50 4.69 4.69 20590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HL-60 IC50 = 20590.0 nM 4.69 Antiproliferative activity against HL60 after 24 hrs 17391969

Literature References

PubMed DOI Target Context # Activities
17391969 10.1016/j.bmc.2007.03.021 HL-60 2
17391969 10.1016/j.bmc.2007.03.021 NON-PROTEIN TARGET 1
12828478 10.1021/np0300784 Col2 1
12828478 10.1021/np0300784 ADMET 1
12828478 10.1021/np0300784 HUVEC 1
12828478 10.1021/np0300784 KB 1
12828478 10.1021/np0300784 LNCaP 1
12828478 10.1021/np0300784 Lu1 1
19193025 10.1021/np800721f Mycobacterium tuberculosis 1
22500738 10.1021/jf3012163 Aspergillus niger 1

Data from ChEMBL 36 via Core Engine