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Compound Detail

CHEMBL4540499

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C#Cc1ccc(C)c(C(=O)NCCN2CCOCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4540499
Phase Preclinical
Structure Type MOL
InChI Key QZUFEBIJIAZNHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
1.04
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N2O2
MW 272.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -2.15

Literature References

PubMed DOI Target Context # Activities
27426301 10.1016/j.bmcl.2016.07.017 Cholinesterase 1
27426301 10.1016/j.bmcl.2016.07.017 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine