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

CHEMBL406235

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
Cn1c(C#N)ccc1-c1cc2c(cc1F)NC(=O)C2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL406235
Phase Preclinical
Structure Type MOL
InChI Key UWFRUEUBOYKJIU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
2.93
ALogP
3
HBA
1
HBD
57.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14FN3O
MW 283.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.47

Activity Summary

IC50 1 meas. best 7.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 7.69 7.69 20.3 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.5 hr Rattus norvegicus
t1/2 - - Macaca fascicularis
t1/2 - - Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 20.3 nM 7.69 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 Liver microsomes 2
18318463 10.1021/jm701080t Progesterone receptor 2
18318463 10.1021/jm701080t ADMET 1

Data from ChEMBL 36 via Core Engine