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

CHEMBL279464

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
CCC1(CC)OC(S)=Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21

Basic Information

ChEMBL ID CHEMBL279464
Phase Preclinical
Structure Type MOL
InChI Key COIUOECSBDDSNQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
5.22
ALogP
4
HBA
1
HBD
64.7
PSA (Ų)
0.47
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 C18H18N2O3S
MW 342.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.45

Activity Summary

EC50 1 meas. best 8.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 8.33 8.33 4.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12657271 10.1016/s0960-894x(03)00128-8 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine