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Compound Detail

CHEMBL465808

ATALANTOFLAVONE
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CC1(C)C=Cc2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL465808
Name ATALANTOFLAVONE
Phase Preclinical
Structure Type MOL
InChI Key YEUHAZULDUVZLA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

336.3
MW (Da)
4.06
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.70
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 C20H16O5
MW 336.34
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 2.29

Activity Summary

IC50 2 meas. best 4.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.98 4.98 10500.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.25 4.25 55600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 10500.0 nM 4.98 Inhibition of serum-opsonized zymosan-induced oxidative burst in whole blood (un... 26711890
NON-PROTEIN TARGET IC50 = 55600.0 nM 4.25 Cytotoxicity against human PC3 cells after 3 days by MTT assay 26711890

Literature References

PubMed DOI Target Context # Activities
32155073 10.1021/acs.jnatprod.9b00922 PBMC 5
26711890 10.1016/j.bmcl.2015.12.028 NON-PROTEIN TARGET 2
11858751 10.1021/np010147j Cladosporium cucumerinum 1
26711890 10.1016/j.bmcl.2015.12.028 Unchecked 1
26711890 10.1016/j.bmcl.2015.12.028 Bacillus subtilis 1
26711890 10.1016/j.bmcl.2015.12.028 Staphylococcus aureus 1
26711890 10.1016/j.bmcl.2015.12.028 Escherichia coli 1
26711890 10.1016/j.bmcl.2015.12.028 Rhizomucor miehei 1
26711890 10.1016/j.bmcl.2015.12.028 Candida albicans 1
26711890 10.1016/j.bmcl.2015.12.028 Globisporangium ultimum 1
26711890 10.1016/j.bmcl.2015.12.028 Rhizoctonia solani 1
29975532 10.1021/acs.jnatprod.7b00938 A549 1
29975532 10.1021/acs.jnatprod.7b00938 MDA-MB-231 1
29975532 10.1021/acs.jnatprod.7b00938 HepG2 1

Data from ChEMBL 36 via Core Engine