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Compound Detail

CHEMBL52676

MOSLOFLAVONE
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COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC

Basic Information

ChEMBL ID CHEMBL52676
Name MOSLOFLAVONE
Phase Preclinical
Structure Type MOL
InChI Key SIVAITYPYQQYAP-UHFFFAOYSA-N
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
3.18
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.80
QED
0
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 C17H14O5
MW 298.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 1.08

Activity Summary

EC50 2 meas. best 5.34
IC50 2 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
J774.A1
CHEMBL614040
IC50 6.66 5.925 220.0 2
KB 3-1
CHEMBL614590
EC50 5.34 5.34 4600.0 1
HT-22
CHEMBL614316
EC50 4.63 4.63 23400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15481991 10.1021/jm049949c KB 3-1 3
12729671 10.1016/s0960-894x(03)00197-5 H9 2
37683361 10.1016/j.ejmech.2023.115791 J774.A1 2
16046127 10.1016/j.bmcl.2005.05.045 Bacillus subtilis 1
16046127 10.1016/j.bmcl.2005.05.045 Bacillus sp. 1
16046127 10.1016/j.bmcl.2005.05.045 Staphylococcus aureus 1
16046127 10.1016/j.bmcl.2005.05.045 Klebsiella aerogenes 1
16046127 10.1016/j.bmcl.2005.05.045 NON-PROTEIN TARGET 1
15481991 10.1021/jm049949c KB 1
15481991 10.1021/jm049949c No relevant target 1
20704331 10.1021/np100014j MCF7 1
20704331 10.1021/np100014j NCI-H460 1
20704331 10.1021/np100014j SF-268 1
- 10.1007/s00044-011-9570-z Avian myoblastosis virus polyprotein II 1
12517100 10.1021/jf025627a Spodoptera litura 1
32991171 10.1021/acs.jnatprod.0c00756 HT-22 1

Data from ChEMBL 36 via Core Engine