AVL-3288

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: VA80VAX4WF

Structure
InChI Key VMAKIACTLSBBIY-BOPFTXTBSA-N
Smile 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

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR Neuronal acetylcholine receptor protein alpha-7 subunit 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 - 5-10 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 1 D012559 ClinicalTrials
Psychotic Disorders 1 D011618 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL429317
FDA SRS VA80VAX4WF
PubChem 16005981
SureChEMBL SCHEMBL1459686
ZINC ZINC000029046739
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