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Compound Detail

CHEMBL3616557

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CNC(=O)OCCC(C)N(C)CC(O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3616557
Phase Preclinical
Structure Type MOL
InChI Key UWBRLHQZGYDDSB-UHFFFAOYSA-N
0
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
1.79
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H24N2O3
MW 280.37
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.52

Activity Summary

Ki 6 meas.

Literature References

PubMed DOI Target Context # Activities
26301559 10.1016/j.ejmech.2015.07.024 Neuronal acetylcholine receptor; alpha4/beta2 2
26301559 10.1016/j.ejmech.2015.07.024 Neuronal acetylcholine receptor; alpha4/beta4 2
26301559 10.1016/j.ejmech.2015.07.024 Neuronal acetylcholine receptor; alpha3/beta4 2

Data from ChEMBL 36 via Core Engine