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Compound Detail

CHEMBL485777

CUDRAFLAVONE C
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CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3O)c(CC=C(C)C)c(=O)c2c1O

Basic Information

ChEMBL ID CHEMBL485777
Name CUDRAFLAVONE C
Phase Preclinical
Structure Type MOL
InChI Key MUUDYSFWQUSAOO-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
5.30
ALogP
6
HBA
4
HBD
111.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H26O6
MW 422.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 1.76

Activity Summary

IC50 4 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4D
CHEMBL288
IC50 6.58 6.58 260.0 1
Unchecked
CHEMBL612545
IC50 4.67 4.67 21400.0 1
RAW264.7
CHEMBL612557
IC50 4.28 4.255 52300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34546736 10.1021/acs.jnatprod.1c00578 Staphylococcus aureus 44
34546736 10.1021/acs.jnatprod.1c00578 Enterococcus 9
16643064 10.1021/np0600346 RAW264.7 3
23113717 10.1021/np300576w Unchecked 2
34546736 10.1021/acs.jnatprod.1c00578 Escherichia coli 2
34546736 10.1021/acs.jnatprod.1c00578 Acinetobacter baumannii 2
11087602 10.1021/np000175m Human immunodeficiency virus 1 1
11087602 10.1021/np000175m CEM-SS 1
21401118 10.1021/np100907d 3T3-L1 1
29291443 10.1016/j.ejmech.2017.12.057 3',5'-cyclic-AMP phosphodiesterase 4D 1
34546736 10.1021/acs.jnatprod.1c00578 Vero 1
34546736 10.1021/acs.jnatprod.1c00578 Pseudomonas aeruginosa 1
34546736 10.1021/acs.jnatprod.1c00578 Klebsiella pneumoniae 1
34546736 10.1021/acs.jnatprod.1c00578 ADMET 1

Data from ChEMBL 36 via Core Engine