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Compound Detail

CHEMBL1277448

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O=C1c2cccc(Cl)c2C(Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c2c(Cl)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1277448
Phase Preclinical
Structure Type MOL
InChI Key SBSSLFMXEWYNLY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

565.5
MW (Da)
9.07
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H26Cl2O3
MW 565.50
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -0.10

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