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Compound Detail

CHEMBL2012554

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O=C(/C=C/c1ccc2c(c1)OCO2)OC(=O)/C=C/c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012554
Phase Preclinical
Structure Type MOL
InChI Key AWRHUYKAENPUJM-FCXRPNKRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

366.3
MW (Da)
2.94
ALogP
7
HBA
0
HBD
80.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14O7
MW 366.33
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.34

Literature References

PubMed DOI Target Context # Activities
22330633 10.1016/j.bmcl.2012.01.032 Tyrosinase 1
22330633 10.1016/j.bmcl.2012.01.032 Molecular identity unknown 1
22330633 10.1016/j.bmcl.2012.01.032 ADMET 1

Data from ChEMBL 36 via Core Engine