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Compound Detail

CHEMBL2323766

EUCHRESTINE B
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COc1ccc2c([nH]c3cc(O)c(C)cc32)c1C/C=C(\C)CCC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2323766
Name EUCHRESTINE B
Phase Preclinical
Structure Type MOL
InChI Key OFHARTBNOLXMFZ-CXUHLZMHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
6.58
ALogP
2
HBA
2
HBD
45.2
PSA (Ų)
0.49
QED
1
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 C24H29NO2
MW 363.50
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 1.77

Activity Summary

IC50 1 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.39 5.39 4100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 4100.0 nM 5.39 Inhibition of theophylline-induced melanogenesis in mouse B16-4A5 cells after 72... 23376010

Literature References

PubMed DOI Target Context # Activities
23376010 10.1016/j.bmc.2013.01.012 Tyrosinase 5
23376010 10.1016/j.bmc.2013.01.012 ADMET 4
23376010 10.1016/j.bmc.2013.01.012 Unchecked 4

Data from ChEMBL 36 via Core Engine