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Compound Detail

CHEMBL351104

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O=C(OCc1ccccc1)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1

Basic Information

ChEMBL ID CHEMBL351104
Phase Preclinical
Structure Type MOL
InChI Key NUQLHYTXBWXMJG-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.9
MW (Da)
5.75
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17ClN2O2
MW 388.85
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.75

Activity Summary

IC50 3 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
IC50 7.22 6.555 60.0 2
Glucagon receptor
CHEMBL4773
IC50 6.1 6.1 800.0 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