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Compound Detail

CHEMBL330029

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O=C(N1CCc2cc(O)ccc2[C@@H]1c1ccc(O)cc1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330029
Phase Preclinical
Structure Type MOL
InChI Key AMISCVYQYZIUFE-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.3
MW (Da)
3.13
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.84
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 C17H14F3NO3
MW 337.30
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
15125923 10.1016/j.bmcl.2004.03.077 Estrogen receptor 1
15125923 10.1016/j.bmcl.2004.03.077 Estrogen receptor beta 1

Data from ChEMBL 36 via Core Engine