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Compound Detail

CHEMBL3577882

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C[C@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)c1cc2cc[nH]c2cn1

Basic Information

ChEMBL ID CHEMBL3577882
Phase Preclinical
Structure Type MOL
InChI Key ITUHWRUDZXIIHN-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.4
MW (Da)
4.80
ALogP
3
HBA
2
HBD
86.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20FN3O3
MW 417.44
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.21

Activity Summary

IC50 1 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL1075319
IC50 6.02 6.02 951.0 1

Activity Data Samples

Top measurements by pChEMBL value

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