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Compound Detail

CHEMBL347462

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CCCOc1cccc(OCCC)c1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1

Basic Information

ChEMBL ID CHEMBL347462
Phase Preclinical
Structure Type MOL
InChI Key RYGNZEQECYUPSL-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.0
MW (Da)
7.64
ALogP
3
HBA
1
HBD
47.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27ClN2O2
MW 446.98
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.60

Activity Summary

IC50 3 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
IC50 7.4 6.97 40.0 2
Glucagon receptor
CHEMBL4773
IC50 6.17 6.17 670.0 1

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