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Compound Detail

CHEMBL4164167

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COc1ccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1

Basic Information

ChEMBL ID CHEMBL4164167
Phase Preclinical
Structure Type MOL
InChI Key FUVOJNSPGQIFFS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
4.87
ALogP
6
HBA
2
HBD
77.2
PSA (Ų)
0.53
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 C19H15N3O2S2
MW 381.48
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.18

Activity Summary

IC50 1 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte
CHEMBL3140324
IC50 4.72 4.72 19100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte IC50 = 19100.0 nM 4.72 Inhibition of glucagon-mediated gluconeogenesis in mouse primary hepatocytes pre... 29733999

Literature References

PubMed DOI Target Context # Activities
29733999 10.1016/j.ejmech.2018.04.028 Hepatocyte 1

Data from ChEMBL 36 via Core Engine