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Compound Detail

CHEMBL1933707

NARCHINOL B
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C[C@@H]1C[C@H](O)C=C2C(=O)C=C[C@@H](O)[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1933707
Name NARCHINOL B
Phase Preclinical
Structure Type MOL
InChI Key MPVZRKBKGSHLGP-FCMYFTRRSA-N
3
Targets
11
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

208.3
MW (Da)
0.82
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H16O3
MW 208.26
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 3.38

Activity Summary

IC50 11 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
BV-2
CHEMBL614781
 IC50 5.77 5.66 1700.0 5
Microglia
CHEMBL4296521
 IC50 5.51 5.362 3100.0 5
RAW264.7
CHEMBL612557
 IC50 5.34 5.34 4600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
BV-2 IC50 = 1700.0 nM 5.77 Inhibition of lipopolysaccharide-induced TNFalpha production in mouse BV2 cells ... 29221883
BV-2 IC50 = 1730.0 nM 5.76 Inhibition of lipopolysaccharide-induced IL-1beta production in mouse BV2 cells ... 29221883
BV-2 IC50 = 2380.0 nM 5.62 Inhibition of lipopolysaccharide-induced PGE2 production in mouse BV2 cells pre-... 29221883
BV-2 IC50 = 2430.0 nM 5.61 Inhibition of lipopolysaccharide-induced nitric oxide production in mouse BV2 ce... 29221883
BV-2 IC50 = 2900.0 nM 5.54 Inhibition of lipopolysaccharide-induced IL6 production in mouse BV2 cells pre-i... 29221883
Microglia IC50 = 3100.0 nM 5.51 Inhibition of lipopolysaccharide-induced PGE2 production in in Sprague-Dawley ra... 29221883
Microglia IC50 = 3110.0 nM 5.51 Inhibition of lipopolysaccharide-induced IL-1beta production in in Sprague-Dawle... 29221883
Microglia IC50 = 4000.0 nM 5.4 Inhibition of lipopolysaccharide-induced IL6 production in in Sprague-Dawley rat... 29221883
Microglia IC50 = 4170.0 nM 5.38 Inhibition of lipopolysaccharide-induced nitric oxide production in Sprague-Dawl... 29221883
RAW264.7 IC50 = 4600.0 nM 5.34 Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... 22079762
Microglia IC50 = 9830.0 nM 5.01 Inhibition of lipopolysaccharide-induced TNFalpha production in in Sprague-Dawle... 29221883

Literature References

PubMed DOI Target Context # Activities
29221883 10.1016/j.bmcl.2017.11.041 BV-2 9
29221883 10.1016/j.bmcl.2017.11.041 Microglia 7
22079762 10.1016/j.bmcl.2011.10.043 RAW264.7 3

Data from ChEMBL 36 via Core Engine