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Compound Detail

CHEMBL189861

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c1ccc(-c2cnc3c(c2)CC2(CN4CCC2CC4)O3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL189861
Phase Preclinical
Structure Type MOL
InChI Key GIRLVGYIIVFTLI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
3.15
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N2O
MW 292.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.40

Literature References

PubMed DOI Target Context # Activities
16033252 10.1021/jm040219e Neuronal acetylcholine receptor; alpha3/beta2 1
16033252 10.1021/jm040219e Neuronal acetylcholine receptor; alpha4/beta2 1
16033252 10.1021/jm040219e Neuronal acetylcholine receptor; alpha2/beta4 1
16033252 10.1021/jm040219e Neuronal acetylcholine receptor; alpha3/beta4 1
16033252 10.1021/jm040219e Neuronal acetylcholine receptor; alpha4/beta4 1
16033252 10.1021/jm040219e Neuronal acetylcholine receptor subunit alpha-7 1

Data from ChEMBL 36 via Core Engine