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Compound Detail

CHEMBL1779211

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CC(Cc1nnc(CN2C(=O)COc3c(Cl)cc(Cl)cc32)n1CCC(F)(F)F)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1779211
Phase Preclinical
Structure Type MOL
InChI Key UTDOXXDCSICXHO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

513.4
MW (Da)
5.81
ALogP
5
HBA
0
HBD
60.2
PSA (Ų)
0.40
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21Cl2F3N4O2
MW 513.35
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.20

Activity Summary

IC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/glucose cotransporter 2
CHEMBL3884
 IC50 7.05 7.05 89.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium/glucose cotransporter 2 IC50 = 89.0 nM 7.05 Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]... 21565497

Literature References

PubMed DOI Target Context # Activities
21565497 10.1016/j.bmcl.2011.04.053 Sodium/glucose cotransporter 2 2
21565497 10.1016/j.bmcl.2011.04.053 Liver microsomes 2

Data from ChEMBL 36 via Core Engine