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Compound Detail

CHEMBL377468

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CN(C)CCCOc1cccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)c1

Basic Information

ChEMBL ID CHEMBL377468
Phase Preclinical
Structure Type MOL
InChI Key DFPHIHLZFRBUNC-BGABXYSRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
5.84
ALogP
4
HBA
0
HBD
45.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24F3N3O2
MW 467.49
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.47

Activity Summary

Ki 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 3
CHEMBL2731
Ki 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Galanin receptor type 3 Ki = 29.0 nM 7.54 Displacement of [125I]galanin from human galanin Gal3 receptor 16730981

Literature References

PubMed DOI Target Context # Activities
16730981 10.1016/j.bmcl.2006.05.025 Galanin receptor type 3 1

Data from ChEMBL 36 via Core Engine