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Compound Detail

CHEMBL149138

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O=C(O)c1cccc(COc2ccc3[nH]c(SCC(=O)c4ccc(O)c(O)c4)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL149138
Phase Preclinical
Structure Type MOL
InChI Key WSMHUXDLXGUDEF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
4.23
ALogP
7
HBA
4
HBD
132.7
PSA (Ų)
0.18
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18N2O6S
MW 450.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.00

Activity Summary

Ki 1 meas. best 4.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
Ki 4.02 4.02 95000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor Ki = 95000.0 nM 4.02 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