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Compound Detail

CHEMBL4559380

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Clc1cccc(CC2(COc3cncc(-c4ccccc4)c3)CCCNC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4559380
Phase Preclinical
Structure Type MOL
InChI Key IKMWWMBQHUKCEK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.9
MW (Da)
5.39
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.61
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25ClN2O
MW 392.93
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.50

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