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Compound Detail

CHEMBL4877787

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COc1ccc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)nc(N3CCOCC3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4877787
Phase Preclinical
Structure Type MOL
InChI Key ZINWKYVQZNIRPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.4
MW (Da)
4.03
ALogP
8
HBA
1
HBD
81.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20F3N5O3
MW 447.42
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.60

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