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Compound Detail

CHEMBL6020118

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C=Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c3c2OCC3)cc1

Basic Information

ChEMBL ID CHEMBL6020118
Phase Preclinical
Structure Type MOL
InChI Key URKMOFSCSJCMGD-AREVGRJGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
1.68
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28O6
MW 412.48
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.40

Activity Summary

IC50 1 meas. best 6.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/glucose cotransporter 1
CHEMBL4979
IC50 6.53 6.53 295.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium/glucose cotransporter 1 IC50 = 295.0 nM 6.53 SGLT1/2 in-vitro assay: To analyze a sodium-dependent glucose transport, cells f... -

Data from ChEMBL 36 via Core Engine