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Compound Detail

CHEMBL247295

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CCC1(CC)OC(=O)N(C)c2ccc(Nc3ccc(F)c(F)c3)cc21

Basic Information

ChEMBL ID CHEMBL247295
Phase Preclinical
Structure Type MOL
InChI Key CNJCRJFXKFCKJI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
5.31
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.82
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20F2N2O2
MW 346.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 7.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 7.56 7.56 27.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17027272 10.1016/j.bmcl.2006.09.060 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine