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Compound Detail

CHEMBL345000

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C1=C(c2ccccc2)C2(Cc3ccccc3C2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL345000
Phase Preclinical
Structure Type MOL
InChI Key JDAYHXPHXPCKKX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
5.28
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18
MW 294.40
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.37

Literature References

PubMed DOI Target Context # Activities
12565955 10.1016/s0960-894x(02)00985-x Estrogen receptor 2
12565955 10.1016/s0960-894x(02)00985-x Estrogen receptor beta 2

Data from ChEMBL 36 via Core Engine