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Compound Detail

CHEMBL209730

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CN(C)CCOc1ccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)cc1

Basic Information

ChEMBL ID CHEMBL209730
Phase Preclinical
Structure Type MOL
InChI Key BLUWLPTXPARWEW-BYNJWEBRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
5.44
ALogP
4
HBA
0
HBD
45.1
PSA (Ų)
0.50
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 C25H22F3N3O2
MW 453.46
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.41

Activity Summary

Ki 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 3
CHEMBL2731
Ki 7.05 7.05 89.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Galanin receptor type 3 Ki = 89.0 nM 7.05 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