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

CHEMBL1368980

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
COc1ccccc1Cn1c(=S)[nH]c2ccc(F)cc2c1=O

Basic Information

ChEMBL ID CHEMBL1368980
Phase Preclinical
Structure Type MOL
InChI Key JOZDVNMNPRLODN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.26
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.75
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 C16H13FN2O2S
MW 316.36
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.65

Activity Summary

IC50 1 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Major prion protein
CHEMBL4869
IC50 6.38 6.38 412.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Major prion protein IC50 = 412.1 nM 6.38 PubChem BioAssay. TRFRET-based cell-based high throughput dose response assay to... -

Data from ChEMBL 36 via Core Engine