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Compound Detail

CHEMBL3422569

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CN1C[C@@H]2C[C@H]1CN2CCCCC(=O)Nc1ccc(-c2cccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3422569
Phase Preclinical
Structure Type MOL
InChI Key QSVQIHHLLRVDJT-SFTDATJTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
3.25
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.77
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 C22H28N4O
MW 364.49
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
25827398 10.1016/j.ejmech.2015.03.025 Neuronal acetylcholine receptor subunit alpha-7 1
25827398 10.1016/j.ejmech.2015.03.025 Neuronal acetylcholine receptor; alpha4/beta2 1
25827398 10.1016/j.ejmech.2015.03.025 Neuronal acetylcholine receptor; alpha3/beta4 1

Data from ChEMBL 36 via Core Engine