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Compound Detail

CHEMBL309294

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N#Cc1cc(O)cc2c1oc1c(=O)c3ccc(O)cc3oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL309294
Phase Preclinical
Structure Type MOL
InChI Key VOVCYYMRPPLKKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

293.2
MW (Da)
2.98
ALogP
6
HBA
2
HBD
107.6
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 C16H7NO5
MW 293.23
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness 0.90

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

Data from ChEMBL 36 via Core Engine