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Compound Detail

CHEMBL352005

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CC(C)(C)C(=O)Nc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL352005
Phase Preclinical
Structure Type MOL
InChI Key PTQLKQPZMIUUAS-DHRITJCHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

423.9
MW (Da)
4.95
ALogP
4
HBA
3
HBD
90.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22ClN3O3
MW 423.90
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.45

Activity Summary

IC50 1 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
 IC50 7.48 7.48 33.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor IC50 = 33.0 nM 7.48 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