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Compound Detail

CHEMBL396908

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CCC1(CC)OC(=O)N(C)c2ccc(Nc3cc(F)cc([N+](=O)[O-])c3)cc21

Basic Information

ChEMBL ID CHEMBL396908
Phase Preclinical
Structure Type MOL
InChI Key UZXKDVGZVWWMGK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
5.08
ALogP
5
HBA
1
HBD
84.7
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20FN3O4
MW 373.38
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 8.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 8.08 8.08 8.4 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