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Compound Detail

CHEMBL227414

NORCEPHARADIONE
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COc1cc2c3c(cc4ccccc4c3c1OC)NC(=O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227414
Name NORCEPHARADIONE
Phase Preclinical
Structure Type MOL
InChI Key BAGGDUOPTSQTHD-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

307.3
MW (Da)
3.15
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.58
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 C18H13NO4
MW 307.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.93

Activity Summary

IC50 3 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
T-cell
CHEMBL614309
 IC50 6.1 6.1 795.0 1
B-cell
CHEMBL614701
 IC50 5.17 5.17 6720.0 1
BV-2
CHEMBL614781
 IC50 4.43 4.43 37000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
T-cell IC50 = 795.0 nM 6.1 Inhibition of ConA-induced BALB/c mouse T cell proliferation 17081761
B-cell IC50 = 6720.0 nM 5.17 Inhibition of LPS-induced BALB/c mouse B cell proliferation 17081761
BV-2 IC50 = 37000.0 nM 4.43 Antineuroinflammatory activity against mouse BV2 cells assessed as inhibition of... 33822610

Literature References

PubMed DOI Target Context # Activities
17081761 10.1016/j.bmc.2006.10.034 T-cell 2
33822610 10.1021/acs.jnatprod.1c00055 BV-2 2
17081761 10.1016/j.bmc.2006.10.034 ADMET 1
17081761 10.1016/j.bmc.2006.10.034 B-cell 1
17081761 10.1016/j.bmc.2006.10.034 Unchecked 1

Data from ChEMBL 36 via Core Engine