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Compound Detail

CHEMBL1277730

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O=C1c2cccc(Cl)c2C(c2ccccc2)c2c(Cl)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1277730
Phase Preclinical
Structure Type MOL
InChI Key VSSOQYISHZBIEA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.2
MW (Da)
5.72
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12Cl2O
MW 339.22
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
20828887 10.1016/j.ejmech.2010.08.047 HaCaT 2
20828887 10.1016/j.ejmech.2010.08.047 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine