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Compound Detail

CHEMBL2443080

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O=C(Nc1ccccc1)N1CCC2(CCc3ccccc3O2)CC1

Basic Information

ChEMBL ID CHEMBL2443080
Phase Preclinical
Structure Type MOL
InChI Key RHKNKIIFFZIDNY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
4.08
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O2
MW 322.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL1075319
IC50 5.62 5.62 2423.0 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