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Compound Detail

CHEMBL591727

HIEROCHIN A
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COC/C=C/c1cc(O)c2c(c1)[C@@H](CO)[C@H](c1ccc(O)c(OC)c1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL591727
Name HIEROCHIN A
Phase Preclinical
Structure Type MOL
InChI Key VHVQTNBRDOVOOA-GWKPYITFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.98
ALogP
6
HBA
3
HBD
88.4
PSA (Ų)
0.74
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 C20H22O6
MW 358.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 2.02

Activity Summary

IC50 1 meas. best 4.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.6 4.6 25000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 25000.0 nM 4.6 Inhibition of theophylline-stimulated melanogenesis in mouse B16-4A5 cells after... 20189399

Literature References

PubMed DOI Target Context # Activities
20189399 10.1016/j.bmc.2010.01.046 Unchecked 5
20189399 10.1016/j.bmc.2010.01.046 Tyrosinase 2
20189399 10.1016/j.bmc.2010.01.046 ADMET 1

Data from ChEMBL 36 via Core Engine