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Compound Detail

CHEMBL3318015

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c1cncc(-c2ccc(-c3nnnn3CCCCN3CCOCC3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318015
Phase Preclinical
Structure Type MOL
InChI Key MDSHYXWVHMWJSM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
2.51
ALogP
7
HBA
0
HBD
69.0
PSA (Ų)
0.60
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 C20H24N6O
MW 364.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.03

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
25019477 10.1016/j.ejmech.2014.07.029 Neuronal acetylcholine receptor subunit alpha-7 2
25019477 10.1016/j.ejmech.2014.07.029 Neuronal acetylcholine receptor; alpha4/beta2 1
25019477 10.1016/j.ejmech.2014.07.029 Neuronal acetylcholine receptor; alpha3/beta4 1

Data from ChEMBL 36 via Core Engine