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

CHEMBL3715789

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(-c2ccc(F)c(F)c2)[nH]1

Basic Information

ChEMBL ID CHEMBL3715789
Phase Preclinical
Structure Type MOL
InChI Key HQWTVGQYWWMZCX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

271.2
MW (Da)
1.93
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.83
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 C10H7F2N3O2S
MW 271.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -2.10

Activity Summary

IC50 1 meas. best 5.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G protein-coupled receptor kinase 6
CHEMBL6144
IC50 5.47 5.47 3360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine