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Compound Detail

CHEMBL160652

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CC(C)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL160652
Phase Preclinical
Structure Type MOL
InChI Key GJZDCEHKQKJDGA-VULFUBBASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.9
MW (Da)
5.51
ALogP
4
HBA
2
HBD
70.9
PSA (Ų)
0.39
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 C24H23ClN2O3
MW 422.91
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
 IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor IC50 = 1500.0 nM 5.82 In vitro inhibitory activity against human glucagon receptor using [127I]-labele... 11844695

Literature References

PubMed DOI Target Context # Activities
11844695 10.1016/s0960-894x(01)00819-8 Glucagon receptor 1

Data from ChEMBL 36 via Core Engine