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Compound Detail

CHEMBL1779215

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O=C1COc2c(Cl)cc(Cl)cc2N1Cc1nnc(-c2ccc(Cl)cc2)n1CCC(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1779215
Phase Preclinical
Structure Type MOL
InChI Key ATXOMMBEQIPAPF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

505.7
MW (Da)
5.78
ALogP
5
HBA
0
HBD
60.2
PSA (Ų)
0.44
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14Cl3F3N4O2
MW 505.71
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.62

Activity Summary

IC50 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/glucose cotransporter 2
CHEMBL3884
 IC50 7.64 7.64 23.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium/glucose cotransporter 2 IC50 = 23.0 nM 7.64 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