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Compound Detail

CHEMBL448297

SAKURANETIN
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COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL448297
Name SAKURANETIN
Phase Preclinical
Structure Type MOL
InChI Key DJOJDHGQRNZXQQ-AWEZNQCLSA-N
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
2.81
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H14O5
MW 286.28
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.50

Activity Summary

IC50 5 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Taste receptor type 2 member 31
CHEMBL2034804
 IC50 5.44 5.44 3600.0 1
Unchecked
CHEMBL612545
 IC50 4.81 4.81 15500.0 1
Nitric oxide synthase, inducible
CHEMBL3464
 IC50 4.71 4.71 19550.0 1
RAW264.7
CHEMBL612557
 IC50 4.67 4.67 21600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Taste receptor type 2 member 31 IC50 = 3600.0 nM 5.44 Inhibition of human TAS2R31 receptor expressed in HEK293T cells overexpressing c... 21650152
Unchecked IC50 = 15500.0 nM 4.81 Inhibition of LPS-indued NF-kappaB activation in mouse RAW264.7 cells preincubat... 33939429
Nitric oxide synthase, inducible IC50 = 19550.0 nM 4.71 Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells... 22148193
RAW264.7 IC50 = 21600.0 nM 4.67 Antiinflammatory activity in mouse RAW264.7 assessed as inhibition of LPS-induce... 33939429

Literature References

PubMed DOI Target Context # Activities
23137376 10.1021/np3003468 LoVo 3
22512738 10.1021/np2009797 3T3-L1 3
33939429 10.1021/acs.jnatprod.1c00146 RAW264.7 2
33038666 10.1016/j.bmc.2020.115798 L5178Y 2
23137376 10.1021/np3003468 Unchecked 2
22148193 10.1021/np100874f Nitric oxide synthase, inducible 2
33038666 10.1016/j.bmc.2020.115798 Unchecked 2
20097567 10.1016/j.bmc.2009.12.062 Unchecked 2
18471021 10.1021/np800097t Mycobacterium tuberculosis 1
21650152 10.1021/np200391c Taste receptor type 2 member 31 1
22148193 10.1021/np100874f RAW264.7 1
20097567 10.1016/j.bmc.2009.12.062 Sialidase-2 1
3379415 10.1021/np50056a030 Xanthine dehydrogenase/oxidase 1
8158163 10.1021/np50103a003 Escherichia coli 1
8158163 10.1021/np50103a003 Micrococcus luteus 1
37683361 10.1016/j.ejmech.2023.115791 Mus musculus 1
8158163 10.1021/np50103a003 KB 1
15568762 10.1021/np030530j Cladosporium sphaerospermum 1
15568762 10.1021/np030530j Cladosporium cladosporioides 1
9287419 10.1021/np970196p Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine