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Compound Detail

CHEMBL1651331

STELLARINES B
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COC(=O)/C=C\NC(=O)c1cc2c([nH]c3ccccc32)c(C(C)=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1651331
Name STELLARINES B
Phase Preclinical
Structure Type MOL
InChI Key UJECFLWSXCNVMR-FPLPWBNLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.3
MW (Da)
2.34
ALogP
5
HBA
2
HBD
101.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H15N3O4
MW 337.34
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.65

Activity Summary

IC50 1 meas. best 4.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 4.73 4.73 18600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 18600.0 nM 4.73 Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... 21090796

Literature References

PubMed DOI Target Context # Activities
21090796 10.1021/np1003627 RAW264.7 1

Data from ChEMBL 36 via Core Engine