Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL437622

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)CN1C(=O)C(C)(C)c2cc(-c3ccc(C#N)n3C)cc(F)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL437622
Phase Preclinical
Structure Type MOL
InChI Key KZANNUSSMQLOLC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
3.98
ALogP
3
HBA
0
HBD
49.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22FN3O
MW 339.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 30.0 nM 7.52 Antagonist activity at human PR expressed in human T47D cells assessed as inhibi... 18318463

Literature References

PubMed DOI Target Context # Activities
18318463 10.1021/jm701080t Progesterone receptor 1

Data from ChEMBL 36 via Core Engine