General Information of Drug (ID: DMOWK6B)

Drug Name
Aprobarbital
Synonyms
Allional; Allonal; Allylisopropylmalonylurea; Allylpropymal; Allypropymal; Allypropymalum; Alurate; Aprobarbita; Aprobarbitale; Aprobarbitalum; Aprobarbitone; Aprozal; Numal; Allylisopropylbarbituric acid; Alurate elixir verdum; Aprobarbitale [DCIT]; Isopropylallylbarbituric acid; Alurate (TN); Aprobarbital (INN); Aprobarbital [INN:DCF]; Aprobarbitalum [INN-Latin]; Isonal (swedish); 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-(9CI); 5-(1-Methylethyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;5-(1-methylethyl)-5-prop-2-en-1-ylpyrimidine-2,4,6(1H,3H,5H)-trione; 5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione; 5-Allyl-5-isopropylbarbiturate; 5-Allyl-5-isopropylbarbituricacid; 5-Isopropyl-5-allylbarbituric acid; 5-allyl-5-isopropylpyrimidine-2,4,6(1H,3H,5H)-trione; 5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Indication
Disease Entry ICD 11 Status REF
Anaesthesia 9A78.6 Approved [1]
Insomnia 7A00-7A0Z Approved [1]
Therapeutic Class
Anticonvulsants
ATC Code
N05CA05: Aprobarbital
N05CA: Barbiturates, plain
N05C: HYPNOTICS AND SEDATIVES
N05: PSYCHOLEPTICS
N: NERVOUS SYSTEM
N05CA05: Aprobarbital
N05CA: Barbiturates, plain
N05C: HYPNOTICS AND SEDATIVES
N05: PSYCHOLEPTICS
N: NERVOUS SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 210.23
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H14N2O3
IUPAC Name
5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Canonical SMILES
CC(C)C1(C(=O)NC(=O)NC1=O)CC=C
InChI
InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)
InChIKey
UORJNBVJVRLXMQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6464
ChEBI ID
CHEBI:2791
CAS Number
77-02-1
UNII
Q0YKG9L6RF
DrugBank ID
DB01352
TTD ID
D05TMQ
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor AMPA (GRIA) TTAN6JD NOUNIPROTAC Binder [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Anaesthesia
ICD Disease Classification 9A78.6
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glutamate receptor AMPA (GRIA) DTT NO-GeName 1.79E-04 -0.69 -0.58
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Determination of zidovudine/lamivudine/nevirapine in human plasma using ion-pair HPLC. J Pharm Biomed Anal. 2002 Jun 1;28(5):903-8.