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Compound Detail

CHEMBL253590

DIHYDRODEHYDRODICONIFERYL ALCOHOL
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COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)ccc1O

Basic Information

ChEMBL ID CHEMBL253590
Name DIHYDRODEHYDRODICONIFERYL ALCOHOL
Phase Preclinical
Structure Type MOL
InChI Key SBLZVJIHPWRSQQ-BEFAXECRSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
2.54
ALogP
6
HBA
3
HBD
88.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H24O6
MW 360.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.72

Activity Summary

IC50 2 meas. best 4.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 4.4 4.4 39970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 39970.0 nM 4.4 Anti-neuroinflammatory activity in LPS-activated mouse BV2 cells assessed as inh... 26988298

Literature References

Data from ChEMBL 36 via Core Engine