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Compound Detail

CHEMBL486028

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

Basic Information

ChEMBL ID CHEMBL486028
Phase Preclinical
Structure Type BOTH
InChI Key YFMHBFVZXDWWRU-HGNGGELXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
-1.00
ALogP
5
HBA
4
HBD
115.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H21N3O5S
MW 331.39
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness -0.45

Activity Summary

IC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/glucose cotransporter 1
CHEMBL4979
 IC50 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium/glucose cotransporter 1 IC50 = 2.0 nM 8.7 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 12
17686765 10.1074/jbc.m705416200 Solute carrier family 15 member 1 2

Data from ChEMBL 36 via Core Engine