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Compound Detail

CHEMBL387401

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C#CCN1C(=O)/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL387401
Phase Preclinical
Structure Type MOL
InChI Key JIPIJRSNXVVCLN-CJLVFECKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.3
MW (Da)
3.81
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H11F3N2O
MW 328.29
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.68

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 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