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Compound Detail

CHEMBL48848

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O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1ccco1

Basic Information

ChEMBL ID CHEMBL48848
Phase Preclinical
Structure Type MOL
InChI Key ZHQAGDYDOOCGBH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.3
MW (Da)
5.00
ALogP
3
HBA
2
HBD
62.5
PSA (Ų)
0.61
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 C18H11F6NO3
MW 403.28
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.84

Activity Summary

EC50 2 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-sensitive inward rectifier potassium channel 11
CHEMBL1886
EC50 8.05 8.05 9.0 1
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
EC50 6.74 6.74 182.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12729655 10.1016/s0960-894x(03)00205-1 Sulfonylurea receptors; K-ATP channels 2
12729655 10.1016/s0960-894x(03)00205-1 ATP-sensitive inward rectifier potassium channel 11 1

Data from ChEMBL 36 via Core Engine