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Compound Detail

CHEMBL46245

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O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1cccc(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL46245
Phase Preclinical
Structure Type MOL
InChI Key KBNNPXYGOKKTQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

482.2
MW (Da)
6.71
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H11Cl2F6NO2
MW 482.21
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.87

Literature References

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

Data from ChEMBL 36 via Core Engine