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Compound Detail

CHEMBL2011192

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O=C1c2ccccc2OCC1c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011192
Phase Preclinical
Structure Type MOL
InChI Key PEYYANKYYLJLQM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
2.75
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.83
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 C15H12O3
MW 240.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.97

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22444875 10.1016/j.bmc.2012.02.042 Aromatase 1

Data from ChEMBL 36 via Core Engine