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Compound Detail

CHEMBL485831

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NC(=O)CC[C@H](N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)O

Basic Information

ChEMBL ID CHEMBL485831
Phase Preclinical
Structure Type BOTH
InChI Key QFTRCUPCARNIPZ-CIUDSAMLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
-1.93
ALogP
6
HBA
5
HBD
155.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H22N4O5S
MW 346.41
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.06

Activity Summary

IC50 1 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/glucose cotransporter 1
CHEMBL4979
IC50 8.68 8.68 2.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17686765 10.1074/jbc.m705416200 Sodium/glucose cotransporter 1 9

Data from ChEMBL 36 via Core Engine