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Compound Detail

CHEMBL2164979

ARTOCARMIN A
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C/C(=C\Cc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O)CO

Basic Information

ChEMBL ID CHEMBL2164979
Name ARTOCARMIN A
Phase Preclinical
Structure Type MOL
InChI Key STGFGEJCRVJFFB-BIIKFXOESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.06
ALogP
6
HBA
4
HBD
111.1
PSA (Ų)
0.54
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 C20H18O6
MW 354.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 2.01

Activity Summary

IC50 1 meas. best 4.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.73 4.73 18700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 18700.0 nM 4.73 Inhibition of tyrosinase using L-dihydroxyphenylalanine as substrate preincubate... 23113717

Literature References

PubMed DOI Target Context # Activities
23113717 10.1021/np300576w Unchecked 2

Data from ChEMBL 36 via Core Engine