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

CHEMBL2443071

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=C1CC2(CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)Oc2c(Br)cccc21

Basic Information

ChEMBL ID CHEMBL2443071
Phase Preclinical
Structure Type MOL
InChI Key TXHZNBWTOKJBAT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

499.3
MW (Da)
5.38
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.60
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18BrF3N2O4
MW 499.28
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 6.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL1075319
IC50 6.97 6.97 107.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24055075 10.1016/j.bmc.2013.08.031 Transient receptor potential cation channel subfamily M member 8 1

Data from ChEMBL 36 via Core Engine