AZD1446

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Synonyms
Status
Molecule Category Free-form
UNII ANR9OP1V17

Structure

InChI Key GTUIQNHJSXQMKW-UHFFFAOYSA-N
Smiles O=C(c1ccc(Cl)o1)N1CC2CNCC2C1
InChI
InChI=1S/C11H13ClN2O2/c12-10-2-1-9(16-10)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H13ClN2O2
Molecular Weight 240.69
AlogP 1.22
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 45.48
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Neuronal acetylcholine receptor; alpha4/beta2 agonist AGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - 700 87-97
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- - - 30-34 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
- - - 30-34 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 30-700 87
Mus musculus
- - - - 97
Rattus norvegicus
- - - 34 -

Target Conservation

Protein: Neuronal acetylcholine receptor; alpha4/beta2
Description: Neuronal acetylcholine receptor subunit beta-2
Organism : Homo sapiens
P17787 ENSG00000160716
Protein: Neuronal acetylcholine receptor; alpha4/beta2
Description: Neuronal acetylcholine receptor subunit alpha-4
Organism : Homo sapiens
P43681 ENSG00000101204

Cross References

Resources Reference
ChEMBL CHEMBL2179529
FDA SRS ANR9OP1V17
SureChEMBL SCHEMBL584395
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