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Compound Detail

CHEMBL378877

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O=C1Nc2ccccc2/C1=N\c1cccc(Cl)c1Cl

Basic Information

ChEMBL ID CHEMBL378877
Phase Preclinical
Structure Type MOL
InChI Key AUBZCTXOLGPERG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.1
MW (Da)
4.07
ALogP
2
HBA
1
HBD
41.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8Cl2N2O
MW 291.14
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.06

Activity Summary

Ki 1 meas. best 6.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 3
CHEMBL2731
Ki 6.36 6.36 437.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Galanin receptor type 3 Ki = 437.0 nM 6.36 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