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Compound Detail

CHEMBL160419

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NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL160419
Phase Preclinical
Structure Type MOL
InChI Key CUVDOGAGFNNORD-AUEPDCJTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.8
MW (Da)
2.83
ALogP
5
HBA
3
HBD
114.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16ClN3O4
MW 397.82
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.42

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
 IC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor IC50 = 1200.0 nM 5.92 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