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Compound Detail

CHEMBL219065

NOBILIN D
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COc1cc(CC(O)c2cc(OC)c(O)c(OC)c2)ccc1O

Basic Information

ChEMBL ID CHEMBL219065
Name NOBILIN D
Phase Preclinical
Structure Type MOL
InChI Key SCNNIVKGPABBOM-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
2.40
ALogP
6
HBA
3
HBD
88.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H20O6
MW 320.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.81

Activity Summary

IC50 3 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW
CHEMBL614631
IC50 4.82 4.82 15300.0 1
No relevant target
CHEMBL2362975
IC50 4.7 4.7 19900.0 1
Radical scavenging activity
CHEMBL613712
IC50 4.7 4.7 19900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17253844 10.1021/np060449r Radical scavenging activity 1
17253844 10.1021/np060449r NON-PROTEIN TARGET 1
17253844 10.1021/np060449r RAW 1
32711292 10.1016/j.ejmech.2020.112530 No relevant target 1

Data from ChEMBL 36 via Core Engine