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Compound Detail

CHEMBL4450187

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Clc1cccc(CC2(COc3ccc4c(c3)[nH]c3ccccc34)CCCNC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4450187
Phase Preclinical
Structure Type MOL
InChI Key BUMABZFDIYXNFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.9
MW (Da)
5.97
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25ClN2O
MW 404.94
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.06

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