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

CHEMBL214566

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
CCC[C@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL214566
Phase Preclinical
Structure Type MOL
InChI Key GISCUQUOMQBZMT-HUUCEWRRSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.8
MW (Da)
3.84
ALogP
5
HBA
1
HBD
68.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17ClFNO4
MW 377.80
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.25

Activity Summary

EC50 4 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptor 2, Kir6.2
CHEMBL2095198
 EC50 7.17 6.6425 67.6 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sulfonylurea receptor 2, Kir6.2 EC50 = 67.61 nM 7.17 Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cel... 17154517
Sulfonylurea receptor 2, Kir6.2 EC50 = 91.2 nM 7.04 Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cel... 17154517
Sulfonylurea receptor 2, Kir6.2 EC50 = 128.82 nM 6.89 Activity against pig bladder KATP channel opening assessed as ability to relax f... 17154517
Sulfonylurea receptor 2, Kir6.2 EC50 = 3388.44 nM 5.47 Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cel... 17154517

Literature References

PubMed DOI Target Context # Activities
17154517 10.1021/jm060549u Sulfonylurea receptor 2, Kir6.2 9

Data from ChEMBL 36 via Core Engine