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Compound Detail

CHEMBL4750581

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Fc1ccc2c(CCNCc3cccc(OCc4ccccc4)c3)c[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750581
Phase Preclinical
Structure Type MOL
InChI Key VQEORJKXFQOKPB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
5.22
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.42
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 C24H23FN2O
MW 374.46
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
33310288 10.1016/j.ejmech.2020.113059 5-hydroxytryptamine receptor 6 3
33310288 10.1016/j.ejmech.2020.113059 Acetylcholinesterase 2
33310288 10.1016/j.ejmech.2020.113059 Cholinesterase 2

Data from ChEMBL 36 via Core Engine