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Compound Detail

CHEMBL3577898

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C[C@H](c1ccc(F)cc1F)N(Cc1cccc(C(=O)O)c1)C(=O)c1cnc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3577898
Phase Preclinical
Structure Type MOL
InChI Key BIJFFIYUDTYIPE-MRXNPFEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.4
MW (Da)
5.61
ALogP
3
HBA
1
HBD
70.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20F2N2O3
MW 446.45
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL1075319
 IC50 6.54 6.54 288.0 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 = 288.0 nM 6.54 Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells... 25893043

Literature References

PubMed DOI Target Context # Activities
25893043 10.1021/ml500479v Transient receptor potential cation channel subfamily M member 8 1

Data from ChEMBL 36 via Core Engine