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

CHEMBL165055

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
CCOC(=O)C1Nc2ccc(-c3cc(F)cc(C#N)c3)cc2C(C)(C)O1

Basic Information

ChEMBL ID CHEMBL165055
Phase Preclinical
Structure Type MOL
InChI Key SWLNWRPERFZMQP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.93
ALogP
5
HBA
1
HBD
71.3
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 C20H19FN2O3
MW 354.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.41

Activity Summary

IC50 2 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 6.8 6.275 158.8 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11859003 10.1016/s0960-894x(02)00025-2 Progesterone receptor 3

Data from ChEMBL 36 via Core Engine