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Compound Detail

CHEMBL70018

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CC1(C)OC(=O)Nc2ccc(-c3ccc(C(=O)C(F)(F)F)[nH]3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL70018
Phase Preclinical
Structure Type MOL
InChI Key DNKIJWSPAAVFKM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
4.22
ALogP
3
HBA
2
HBD
71.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13F3N2O3
MW 338.29
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
15081005 10.1016/j.bmcl.2004.02.054 Progesterone receptor 2

Data from ChEMBL 36 via Core Engine