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Compound Detail

CHEMBL1766159

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Oc1cc(OCc2ccccc2Cl)cc(OCc2ccccc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1766159
Phase Preclinical
Structure Type MOL
InChI Key WLYRAHLTYWHOKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

375.2
MW (Da)
5.86
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.59
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16Cl2O3
MW 375.25
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
21429753 10.1016/j.bmc.2011.02.044 Tyrosinase 2
21429753 10.1016/j.bmc.2011.02.044 Radical scavenging activity 2
21429753 10.1016/j.bmc.2011.02.044 B16 2

Data from ChEMBL 36 via Core Engine