AZD7325

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Synonyms
Status
Molecule Category UNKNOWN
UNII KNM216XOUH

Structure

InChI Key KYDURMHFWXCKMW-UHFFFAOYSA-N
Smiles CCCNC(=O)c1nnc2c(-c3c(F)cccc3OC)cccc2c1N
InChI
InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H19FN4O2
Molecular Weight 354.39
AlogP 3.17
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 90.13
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Bioactivity

Mechanism of Action Action Reference
GABA receptor alpha-2 subunit positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed Other PubMed
Protein: GABA receptor alpha-3 subunit
Description: Gamma-aminobutyric acid receptor subunit alpha-3
Organism : Homo sapiens
P34903 ENSG00000011677
Protein: GABA receptor alpha-2 subunit
Description: Gamma-aminobutyric acid receptor subunit alpha-2
Organism : Homo sapiens
P47869 ENSG00000151834
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor
- - - 0-0 -
Assay Description Organism Bioactivity Reference
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr None 0.309 nM
Binding affinity to GABA-A alpha2 (unknown origin) Homo sapiens 0.3 nM Binding affinity to GABA-A alpha2 (unknown origin) Homo sapiens 0.309 nM
Binding affinity to GABA-A alpha1 (unknown origin) Homo sapiens 0.5 nM
Binding affinity to GABA-A alpha3 (unknown origin) Homo sapiens 1.3 nM
Binding affinity to GABA-A alpha5 (unknown origin) Homo sapiens 230.0 nM

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1783282
DrugBank DB13994
FDA SRS KNM216XOUH
Guide to Pharmacology 7712
SureChEMBL SCHEMBL1962584
ZINC ZINC000071295104
CONTENTS