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Compound Detail

CHEMBL211169

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CCC(CC)N1C(=O)/C(=N/c2ccc(C(F)(F)F)cc2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL211169
Phase Preclinical
Structure Type MOL
InChI Key ITQWEQLKESDYES-HKOYGPOVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
5.36
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.72
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19F3N2O
MW 360.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.17

Activity Summary

Ki 1 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 3
CHEMBL2731
Ki 7.28 7.28 52.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Galanin receptor type 3 Ki = 52.0 nM 7.28 Displacement of [125I]galanin from human GAL3 16789730

Literature References

PubMed DOI Target Context # Activities
16789730 10.1021/jm060001n Galanin receptor type 3 1

Data from ChEMBL 36 via Core Engine