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Compound Detail

CHEMBL2397184

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CC(=O)Oc1ccc(/C=C/C(=O)CCCCc2ccccc2)cc1OC(C)=O

Basic Information

ChEMBL ID CHEMBL2397184
Phase Preclinical
Structure Type MOL
InChI Key RWGNJWYVGXCPEE-WYMLVPIESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.53
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24O5
MW 380.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.58

Activity Summary

IC50 1 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
BV-2
CHEMBL614781
IC50 5.38 5.38 4200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
BV-2 IC50 = 4200.0 nM 5.38 Antineuroinflammatory activity in mouse BV2 cells assessed as reduction of LPS-i... 23726032

Literature References

PubMed DOI Target Context # Activities
23726032 10.1016/j.bmcl.2013.05.016 BV-2 3
23726032 10.1016/j.bmcl.2013.05.016 PC-12 1
23726032 10.1016/j.bmcl.2013.05.016 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine