INDIPLON

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Synonyms
Status
Molecule Category Free-form
UNII 8BT63DA42E
EPA CompTox DTXSID80186270

Structure

InChI Key CBIAWPMZSFFRGN-UHFFFAOYSA-N
Smiles CC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChI
InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H16N4O2S
Molecular Weight 376.44
AlogP 3.67
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 4.0
Polar Surface Area 67.57
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
GABA receptor alpha-1 subunit positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor
- - - 0.45-0.55 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- 3.29 - 0.45-0.55 -

Target Conservation

Protein: GABA receptor alpha-1 subunit
Description: Gamma-aminobutyric acid receptor subunit alpha-1
Organism : Homo sapiens
P14867 ENSG00000022355

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL262075
DrugBank DB12590
FDA SRS 8BT63DA42E
Guide to Pharmacology 4221
PubChem 6450813
SureChEMBL SCHEMBL75094
ZINC ZINC000000538650
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