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

CHEMBL3717135

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=C(O)CSc1nnc(-c2cccc(C(F)(F)F)c2)[nH]1

Basic Information

ChEMBL ID CHEMBL3717135
Phase Preclinical
Structure Type MOL
InChI Key PZLGLQULKXBUAQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
2.67
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8F3N3O2S
MW 303.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.83

Activity Summary

IC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G protein-coupled receptor kinase 6
CHEMBL6144
IC50 5.52 5.52 3020.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine