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Compound Detail

CHEMBL2112908

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N#Cc1cc(C(=O)N/N=C/c2cn(C(=O)CC3CCCC3)c3ccccc23)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2112908
Phase Preclinical
Structure Type MOL
InChI Key QBBCNWBRHZVOJU-VULFUBBASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
4.20
ALogP
6
HBA
2
HBD
107.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O3
MW 414.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
 IC50 8.19 8.19 6.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor IC50 = 6.4 nM 8.19 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