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Compound Detail

CHEMBL4874026

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COc1ccc(-c2nc(NCc3ccccc3)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4874026
Phase Preclinical
Structure Type MOL
InChI Key OMXXZIYFSXCTQY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.4
MW (Da)
5.80
ALogP
7
HBA
2
HBD
81.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20F3N5O2
MW 467.45
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.27

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