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Compound Detail

CHEMBL2435136

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C[S+]([O-])c1ccc(C2=NC(c3ccncc3)=C(c3ccc(F)cc3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2435136
Phase Preclinical
Structure Type MOL
InChI Key SCJXLWXPQSIXOF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
4.72
ALogP
3
HBA
0
HBD
48.3
PSA (Ų)
0.62
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 C22H17FN2OS
MW 376.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.65

Activity Summary

IC50 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
 IC50 6.17 6.17 671.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor IC50 = 671.43 nM 6.17 Antagonist activity at human glucagon receptor -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-013-0801-3 Glucagon receptor 1

Data from ChEMBL 36 via Core Engine