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Compound Detail

CHEMBL611384

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Cc1ccccc1-c1cc(=O)c2c(ccc3ccccc32)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL611384
Phase Preclinical
Structure Type MOL
InChI Key HTQOUKGHDBLEQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
4.92
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14O2
MW 286.33
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness 0.25

Literature References

PubMed DOI Target Context # Activities
20060304 10.1016/j.bmc.2009.12.036 Aryl hydrocarbon receptor 1
20060304 10.1016/j.bmc.2009.12.036 No relevant target 1
20060304 10.1016/j.bmc.2009.12.036 MCF7 1
21344906 10.1021/jm101356p No relevant target 1
21344906 10.1021/jm101356p Aryl hydrocarbon receptor 1

Data from ChEMBL 36 via Core Engine