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

CHEMBL1698464

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=S(=O)(/C(=C\c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL1698464
Phase Preclinical
Structure Type MOL
InChI Key GFNKOHYICHFZDD-ZHZULCJRSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.4
MW (Da)
5.55
ALogP
3
HBA
1
HBD
62.8
PSA (Ų)
0.46
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 C22H15F3N2O2S
MW 428.44
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.04

Activity Summary

IC50 2 meas. best 5.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanocortin receptor 4
CHEMBL259
IC50 5.03 5.03 9388.0 1
C-C chemokine receptor type 6
CHEMBL4423
IC50 4.66 4.66 22000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine