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Compound Detail

CHEMBL4436100

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OCCCC#Cc1ccc(OCC2(Cc3cccc(Cl)c3)CCCNC2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4436100
Phase Preclinical
Structure Type MOL
InChI Key GBVDQQXFSRREBZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.9
MW (Da)
3.85
ALogP
4
HBA
2
HBD
54.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27ClN2O2
MW 398.93
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
30317024 10.1016/j.ejmech.2018.09.073 Acetylcholine-binding protein 2

Data from ChEMBL 36 via Core Engine