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Compound Detail

CHEMBL212729

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C=CCN1C(=O)/C(=N/c2ccc(Cl)c(Cl)c2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL212729
Phase Preclinical
Structure Type MOL
InChI Key YHFSSVLGIARFQM-CAPFRKAQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.2
MW (Da)
4.65
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12Cl2N2O
MW 331.20
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.50

Activity Summary

Ki 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 3
CHEMBL2731
Ki 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Galanin receptor type 3 Ki = 150.0 nM 6.82 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