AVL-3288

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII VA80VAX4WF

Structure

InChI Key VMAKIACTLSBBIY-BOPFTXTBSA-N
Smiles Cc1cc(/C(=C/Nc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)on1
InChI
InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,22H,1H3,(H,23,25)/b17-11-

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H15Cl2N3O2
Molecular Weight 388.25
AlogP 5.38
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 67.16
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Neuronal acetylcholine receptor protein alpha-7 subunit positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed PubMed PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
500-700 12-28 - 4.5-10 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
500-700 - - - -
Rattus norvegicus
- 12-28 - 4.5-10 -

Target Conservation

Protein: Neuronal acetylcholine receptor protein alpha-7 subunit
Description: Neuronal acetylcholine receptor subunit alpha-7
Organism : Homo sapiens
P36544 ENSG00000175344

Cross References

Resources Reference
CAS NUMBER 917837-54-8
ChEMBL CHEMBL429317
FDA SRS VA80VAX4WF
PubChem 16005981
SureChEMBL SCHEMBL1459686
ZINC ZINC000029046739
CONTENTS