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Compound Detail

CHEMBL2443067

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O=C1CC2(CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)Oc2c(F)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2443067
Phase Preclinical
Structure Type MOL
InChI Key IAAPPNVCPZAONL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
4.88
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.67
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 C21H18F4N2O3
MW 422.38
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.20

Activity Summary

IC50 1 meas. best 6.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL1075319
 IC50 6.53 6.53 295.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transient receptor potential cation channel subfamily M member 8 IC50 = 295.2 nM 6.53 Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition... 24055075

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