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Compound Detail

CHEMBL1779216

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O=C1COc2c(Cl)cc(Cl)cc2N1Cc1nnc(-c2ccccn2)n1CCC(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1779216
Phase Preclinical
Structure Type MOL
InChI Key GNELDGMRTGELTM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

472.2
MW (Da)
4.52
ALogP
6
HBA
0
HBD
73.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14Cl2F3N5O2
MW 472.25
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.75

Activity Summary

IC50 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/glucose cotransporter 2
CHEMBL3884
 IC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium/glucose cotransporter 2 IC50 = 13.0 nM 7.89 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
21565497 10.1016/j.bmcl.2011.04.053 Liver 1

Data from ChEMBL 36 via Core Engine