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Compound Detail

CHEMBL146839

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O=C(CSc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(O)c(O)c1

Basic Information

ChEMBL ID CHEMBL146839
Phase Preclinical
Structure Type MOL
InChI Key ROGWEJHGBVIIGH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.2
MW (Da)
4.26
ALogP
5
HBA
3
HBD
86.2
PSA (Ų)
0.36
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 C15H10Cl2N2O3S
MW 369.23
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.28

Activity Summary

Ki 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
Ki 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor Ki = 20000.0 nM 4.7 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