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Compound Detail

CHEMBL256497

EDULITINE
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COc1cc(=O)[nH]c2c(OC)cccc12

Basic Information

ChEMBL ID CHEMBL256497
Name EDULITINE
Phase Preclinical
Structure Type MOL
InChI Key HPPSTURWGYFXQN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

205.2
MW (Da)
1.55
ALogP
3
HBA
1
HBD
51.3
PSA (Ų)
0.81
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 C11H11NO3
MW 205.21
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 0.16

Activity Summary

IC50 1 meas. best 4.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 4.42 4.42 37950.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 37950.0 nM 4.42 Antiinflammatory activity in human neutrophils assessed as inhibition of formyl-... 18211005

Literature References

PubMed DOI Target Context # Activities
38600744 10.1021/acs.jnatprod.4c00044 NRK-52E 3
18211005 10.1021/np070594k NON-PROTEIN TARGET 2
- 10.1007/s00044-011-9581-9 Acetylcholinesterase 2
38600744 10.1021/acs.jnatprod.4c00044 RAW264.7 2

Data from ChEMBL 36 via Core Engine