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Compound Detail

CHEMBL345589

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N#Cc1cc(C(=O)N/N=C/c2ccc(CO)c3ccccc23)ccc1O

Basic Information

ChEMBL ID CHEMBL345589
Phase Preclinical
Structure Type MOL
InChI Key BUYVLDHDDYAAED-SSDVNMTOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
2.67
ALogP
5
HBA
3
HBD
105.7
PSA (Ų)
0.50
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 C20H15N3O3
MW 345.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 7.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
IC50 7.53 7.53 29.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor IC50 = 29.8 nM 7.53 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