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

CHEMBL85482

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
O/N=C/c1nn(-c2ccc(F)cc2)c2c1CCCC2Cc1cccc2ccccc12

Basic Information

ChEMBL ID CHEMBL85482
Phase Preclinical
Structure Type MOL
InChI Key PJOLPYOKIFEAAE-JVWAILMASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
5.64
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.27
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 C25H22FN3O
MW 399.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL3456
IC50 6.2 6.2 628.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 628.0 nM 6.2 Binding affinity determined by ability to displace [3H]R5020 radioligand using u... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10016-6 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine