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Compound Detail

CHEMBL2435137

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CSc1ccc(C2=NC(c3ccncc3)=C(c3ccc(F)cc3)C2)cc1

Basic Information

ChEMBL ID CHEMBL2435137
Phase Preclinical
Structure Type MOL
InChI Key CYXDITGATVMCNR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
5.70
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17FN2S
MW 360.46
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 5.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
IC50 5.91 5.91 1230.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor IC50 = 1230.27 nM 5.91 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