Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1779340

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCn1c(CN2C(=O)COc3c(C)cc(C)cc32)nnc1-c1ccc(Cl)cn1

Basic Information

ChEMBL ID CHEMBL1779340
Phase Preclinical
Structure Type MOL
InChI Key POSSLJXFNDOHKV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.9
MW (Da)
3.95
ALogP
6
HBA
0
HBD
73.1
PSA (Ų)
0.64
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 C21H22ClN5O2
MW 411.89
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/glucose cotransporter 2
CHEMBL3884
IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21565497 10.1016/j.bmcl.2011.04.053 Sodium/glucose cotransporter 2 1
21565497 10.1016/j.bmcl.2011.04.053 No relevant target 1

Data from ChEMBL 36 via Core Engine