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Compound Detail

CHEMBL158676

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CCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1

Basic Information

ChEMBL ID CHEMBL158676
Phase Preclinical
Structure Type MOL
InChI Key QXYAZQFFNGRBDF-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

402.9
MW (Da)
7.24
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23ClN2O
MW 402.93
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.71

Activity Summary

IC50 4 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
IC50 8.0 7.375 10.0 2
Glucagon receptor
CHEMBL4773
IC50 7.1 6.51 80.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10201821 10.1016/s0960-894x(99)00081-5 Glucagon receptor 4
10201821 10.1016/s0960-894x(99)00081-5 Unchecked 2

Data from ChEMBL 36 via Core Engine