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Compound Detail

CHEMBL422506

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CCN(CC)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12

Basic Information

ChEMBL ID CHEMBL422506
Phase Preclinical
Structure Type MOL
InChI Key GEOISDOUNNJVEU-CVKSISIWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

437.9
MW (Da)
4.37
ALogP
4
HBA
2
HBD
82.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24ClN3O3
MW 437.93
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 7.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
IC50 7.65 7.65 22.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor IC50 = 22.6 nM 7.65 In vitro binding affinity for recombinant human glucagon receptor (hGGR) in BHK ... 12477359

Literature References

PubMed DOI Target Context # Activities
12477359 10.1021/jm0208572 Glucagon receptor 1
12477359 10.1021/jm0208572 ADMET 1

Data from ChEMBL 36 via Core Engine