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Compound Detail

CHEMBL4863956

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COc1cccc(-c2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4863956
Phase Preclinical
Structure Type MOL
InChI Key QAIHMRIMYJTJPI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.8
MW (Da)
4.84
ALogP
6
HBA
1
HBD
69.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12ClF3N4O2
MW 396.76
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
34374537 10.1021/acs.jmedchem.1c01058 Neuronal acetylcholine receptor subunit alpha-7 2

Data from ChEMBL 36 via Core Engine