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Compound Detail

CHEMBL377293

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C=CCc1c(OC)cc2ncn(-c3ccc(OC)cc3)c(=O)c2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377293
Phase Preclinical
Structure Type MOL
InChI Key QJRRDJKPBYIWGE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
2.84
ALogP
6
HBA
1
HBD
73.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O4
MW 338.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
16610787 10.1021/jm0509389 Estrogen receptor beta 3
16610787 10.1021/jm0509389 Estrogen receptor 1

Data from ChEMBL 36 via Core Engine