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Compound Detail

CHEMBL2011193

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O=C1c2ccccc2OCC1c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011193
Phase Preclinical
Structure Type MOL
InChI Key TWDHFIXQIBBLRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
2.46
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.77
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 C15H12O4
MW 256.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 1.17

Literature References

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

Data from ChEMBL 36 via Core Engine