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Compound Detail

CHEMBL3422572

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O=C(CCCCN1CC2(COC2)C1)Nc1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3422572
Phase Preclinical
Structure Type MOL
InChI Key CISCGIHKGUZFJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
3.79
ALogP
3
HBA
1
HBD
41.6
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 C22H26N2O2
MW 350.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.84

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