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Compound Detail

CHEMBL485830

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NC(=O)CC[C@H](N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485830
Phase Preclinical
Structure Type BOTH
InChI Key SYZZMPFLOLSMHL-CIUDSAMLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
-2.87
ALogP
6
HBA
5
HBD
176.1
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 C13H22N4O6
MW 330.34
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.20

Activity Summary

IC50 1 meas. best 9.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/glucose cotransporter 1
CHEMBL4979
 IC50 9.8 9.8 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium/glucose cotransporter 1 IC50 = 0.16 nM 9.8 Inhibition of human SGLT1 expressed in xenopus laevis oocyte assessed as inhibit... 17686765

Literature References

PubMed DOI Target Context # Activities
17686765 10.1074/jbc.m705416200 Sodium/glucose cotransporter 1 10
17686765 10.1074/jbc.m705416200 Solute carrier family 15 member 1 2
17686765 10.1074/jbc.m705416200 Small intestine 1

Data from ChEMBL 36 via Core Engine