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Compound Detail

CHEMBL2426107

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COc1cc(CC[C@@H](O)C[C@@H](O)CCc2ccc(O)cc2)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2426107
Phase Preclinical
Structure Type MOL
InChI Key OJGXSPXNGOVDNO-ZWKOTPCHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
2.79
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H28O6
MW 376.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.88

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23910596 10.1016/j.bmcl.2013.07.010 NON-PROTEIN TARGET 5
23910596 10.1016/j.bmcl.2013.07.010 ADMET 2
23910596 10.1016/j.bmcl.2013.07.010 Tyrosinase 1
38516598 10.1039/d3md00645j Unchecked 1

Data from ChEMBL 36 via Core Engine