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Compound Detail

CHEMBL146683

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COc1cc(C(=O)CSc2nc3ccccc3[nH]2)ccc1O

Basic Information

ChEMBL ID CHEMBL146683
Phase Preclinical
Structure Type MOL
InChI Key LZRLBKOWNMTXIV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
3.25
ALogP
5
HBA
2
HBD
75.2
PSA (Ų)
0.56
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 C16H14N2O3S
MW 314.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.23

Activity Summary

Ki 1 meas. best 4.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
Ki 4.39 4.39 41000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor Ki = 41000.0 nM 4.39 Binding affinity towards cloned human glucagon receptor in BHK cells. 9857085

Literature References

PubMed DOI Target Context # Activities
9857085 10.1021/jm9810304 Glucagon receptor 1

Data from ChEMBL 36 via Core Engine