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Compound Detail

CHEMBL1650519

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Fc1cccc(C(F)(F)F)c1-c1ccc2[nH]c(C3=NOC4(CCCCC4)C3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1650519
Phase Preclinical
Structure Type MOL
InChI Key SYEYWBNXWHHUOD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

417.4
MW (Da)
6.22
ALogP
3
HBA
1
HBD
50.3
PSA (Ų)
0.50
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 C22H19F4N3O
MW 417.41
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential M8 protein
CHEMBL1667665
 IC50 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transient receptor potential M8 protein IC50 = 0.6 nM 9.22 Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibi... 21128593

Literature References

PubMed DOI Target Context # Activities
21128593 10.1021/jm101075v Liver microsomes 2
21128593 10.1021/jm101075v ADMET 1
21128593 10.1021/jm101075v Transient receptor potential M8 protein 1

Data from ChEMBL 36 via Core Engine