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Quick search ChEMBL 36
Compound Detail

CHEMBL519099

(+)-EUDESMIN
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COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(OC)c(OC)c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519099
Name (+)-EUDESMIN
Phase Preclinical
Structure Type MOL
InChI Key PEUUVVGQIVMSAW-RZTYQLBFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
3.80
ALogP
6
HBA
0
HBD
55.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H26O6
MW 386.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.65

Activity Summary

IC50 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
BV-2
CHEMBL614781
 IC50 4.52 4.52 30000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
BV-2 IC50 = 30000.0 nM 4.52 Inhibition of NO production in LPS-stimulated mouse BV2 cells assessed as nitrit... 19110419

Literature References

PubMed DOI Target Context # Activities
18440233 10.1016/j.bmc.2008.04.016 NON-PROTEIN TARGET 3
16190626 10.1021/jf051478v Phomopsis obscurans 3
16190626 10.1021/jf051478v Planktothrix perornata 3
16190626 10.1021/jf051478v Planktothrix agardhii 3
16190626 10.1021/jf051478v Pseudanabaena sp. 3
16190626 10.1021/jf051478v Selenastrum capricornutum 3
19110419 10.1016/j.bmcl.2008.11.103 BV-2 1
18440233 10.1016/j.bmc.2008.04.016 HT-1080 1
18440233 10.1016/j.bmc.2008.04.016 HeLa 1
18440233 10.1016/j.bmc.2008.04.016 A549 1
17950610 10.1016/j.bmc.2007.10.004 PANC-1 1
16190626 10.1021/jf051478v Colletotrichum acutatum 1
16190626 10.1021/jf051478v Colletotrichum gloeosporioides 1
16190626 10.1021/jf051478v Diaporthe ampelina 1
16190626 10.1021/jf051478v Colletotrichum fragariae 1
16190626 10.1021/jf051478v Fusarium oxysporum 1
26305406 10.1021/acs.jnatprod.5b00328 RAW264.7 1

Data from ChEMBL 36 via Core Engine