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Compound Detail

CHEMBL2443069

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

Basic Information

ChEMBL ID CHEMBL2443069
Phase Preclinical
Structure Type MOL
InChI Key WIQUXEWNCTULPV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.3
MW (Da)
5.50
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.58
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18BrF3N2O3
MW 483.28
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 6.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL1075319
IC50 6.18 6.18 656.9 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