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Compound Detail

CHEMBL456060

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O=C(Nc1cc(Cl)ccc1O)c1cn(Cc2ccccc2F)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL456060
Phase Preclinical
Structure Type MOL
InChI Key KCJGRAAGXSKKCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.8
MW (Da)
3.08
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12ClFN4O2
MW 346.75
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.50

Literature References

PubMed DOI Target Context # Activities
18400336 10.1016/j.ejmech.2008.02.032 Calcium-activated potassium channel subunit alpha-1 1

Data from ChEMBL 36 via Core Engine