Details of the Drug

General Information of Drug (ID: DM821BS)

Drug Name

Adipiplon

Synonyms

GABA modulator (insomnia), Neurogen; NG-2-73

Indication

Disease Entry	ICD 11	Status	REF
Sleep-wake disorder	7A00-7B2Z	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

351.4

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C18H18FN7
IUPAC Name: 7-[[2-(3-fluoropyridin-2-yl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
Canonical SMILES: CCCC1=C(N=CN2C1=NC(=N2)C)CN3C=CN=C3C4=C(C=CC=N4)F
InChI: InChI=1S/C18H18FN7/c1-3-5-13-15(22-11-26-17(13)23-12(2)24-26)10-25-9-8-21-18(25)16-14(19)6-4-7-20-16/h4,6-9,11H,3,5,10H2,1-2H3
InChIKey: UAMAIHOEGLEXSV-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Sleep-wake disorder

ICD Disease Classification

7A00-7B2Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
GABA(A) receptor alpha-3 (GABRA3)	DTT	GABRA3	6.05E-02	-0.26	-0.27
GABA(A) receptor alpha-3 (GABRA3)	DTT	GABRA3	9.54E-01	-0.14	-0.36

Molecular Expression Atlas (MEA)

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References

1	ClinicalTrials.gov (NCT00683436) Efficacy and Safety Study of Adipiplon, Placebo and an Active Control in Primary Insomniacs. U.S. National Institutes of Health.
2	Discriminative stimulus properties of GABAA receptor positive allosteric modulators TPA023, ocinaplon and NG2-73 in rats trained to discriminate chlordiazepoxide or zolpidem. Eur J Pharmacol. 2011 Oct 1;668(1-2):190-3.