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Compound Detail

CHEMBL265552

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

Basic Information

ChEMBL ID CHEMBL265552
Phase Preclinical
Structure Type MOL
InChI Key ORDFMOABCOOVLS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.5
MW (Da)
4.31
ALogP
8
HBA
3
HBD
121.7
PSA (Ų)
0.15
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 C24H20N2O6S
MW 464.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.04

Activity Summary

Ki 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
Ki 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor Ki = 16000.0 nM 4.8 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