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Compound Detail

CHEMBL1762503

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O=C1COc2ccc(Cl)cc2N1Cc1nnc(CCc2ccc(Cl)cc2)n1C1CC1

Basic Information

ChEMBL ID CHEMBL1762503
Phase Preclinical
Structure Type MOL
InChI Key PUVUQMBSXQATIU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

443.3
MW (Da)
4.63
ALogP
5
HBA
0
HBD
60.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20Cl2N4O2
MW 443.33
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.31

Activity Summary

IC50 2 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/glucose cotransporter 2
CHEMBL3884
IC50 5.8 5.8 1580.0 1
Sodium/glucose cotransporter 1
CHEMBL4979
IC50 4.6 4.6 25000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21398124 10.1016/j.bmcl.2011.02.056 Sodium/glucose cotransporter 2 1
21398124 10.1016/j.bmcl.2011.02.056 Sodium/glucose cotransporter 1 1

Data from ChEMBL 36 via Core Engine