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

CHEMBL3687965

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
OC1(C(F)(F)F)CC(c2ccccc2)=NN1C(=S)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3687965
Phase Preclinical
Structure Type MOL
InChI Key RIANETHNVIQQBE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.72
ALogP
3
HBA
1
HBD
35.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13F3N2OS
MW 350.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methyl-CpG-binding domain protein 2
CHEMBL3707462
 IC50 6.33 6.33 470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methyl-CpG-binding domain protein 2 IC50 = 470.0 nM 6.33 Binding Assay: DNA binding assays using recombinant MBDs. To produce recombinant... -

Data from ChEMBL 36 via Core Engine