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]
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
PubChem CID
11198924
CAS Number
840486-93-3
UNII
OPL214POJ1
DrugBank ID
DB06579
TTD ID
D0B9OG
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA(A) receptor alpha-3 (GABRA3) TT37EDJ GBRA3_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) Jump to Detail Molecular Expression Atlas of This Drug

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.