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Compound Detail

CHEMBL78831

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O=c1c2ccccc2oc2c1oc1cc(O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL78831
Phase Preclinical
Structure Type MOL
InChI Key RZHHVKKRRILLMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

252.2
MW (Da)
3.40
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H8O4
MW 252.22
Aromatic Rings 4
Heavy Atoms 19
NP-Likeness 0.89

Literature References

PubMed DOI Target Context # Activities
12824043 10.1016/s0960-894x(03)00394-9 Estrogen receptor beta 2
12824043 10.1016/s0960-894x(03)00394-9 Estrogen receptor 1
38691510 10.1021/acs.jmedchem.3c01924 Metabotropic glutamate receptor 7 1

Data from ChEMBL 36 via Core Engine