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Compound Detail

CHEMBL156837

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O=C(N/N=C/c1ccc(NC(=O)C2CCCC2)c2ccccc12)c1ccc(O)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL156837
Phase Preclinical
Structure Type MOL
InChI Key ZXZKLMNZJAUNLG-VULFUBBASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

435.9
MW (Da)
5.09
ALogP
4
HBA
3
HBD
90.8
PSA (Ų)
0.38
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 C24H22ClN3O3
MW 435.91
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 7.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
 IC50 7.41 7.41 38.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor IC50 = 38.8 nM 7.41 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