Details of the Drug

General Information of Drug (ID: DMJ8NMC)

Drug Name
Barbital
Synonyms
Barbitale; Barbitalum; Barbitone; Barbitonum; DEBA; Diemal; Diemalum; Diethylbarbitone; Diethylmalonylurea; Dormileno; Dormonal; Ethylbarbital; Hypnogene; Malonal; Medinal; Sedeval; Uronal; Veroletten; Verolettin; Veronal; Vesperal; Barbital Faes Brand; Barbitale [DCIT]; Diethylbarbituric acid; Faes Brand of Barbital; Barbital (TN); Barbital (VAN); Barbital [INN:JAN]; Barbitalum [INN-Latin]; Veronal (TN); Barbital (JP15/INN); Kyselina 5,5-diethylbarbiturova; Kyselina 5,5-diethylbarbiturova [Czech]; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-(9CI); 5,5-Diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 5,5-Diethylbarbituric acid; 5,5-diethyl-1,3-diazinane-2,4,6-trione; 5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione; 7979P
Indication
Disease Entry ICD 11 Status REF
Insomnia 7A00-7A0Z Approved [1]
Therapeutic Class
Hypnotics and Sedatives
ATC Code
N05CA04: Barbital
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) 184.19
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C8H12N2O3
IUPAC Name
5,5-diethyl-1,3-diazinane-2,4,6-trione
Canonical SMILES
CCC1(C(=O)NC(=O)NC1=O)CC
InChI
InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKey
FTOAOBMCPZCFFF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2294
ChEBI ID
CHEMBL31252
CAS Number
57-44-3
UNII
5WZ53ENE2P
DrugBank ID
DB01483
TTD ID
D0E0WQ
INTEDE ID
DR0174
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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-1 (GABRA1) TT1MPAY GBRA1_HUMAN Antagonist [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Mephenytoin 4-hydroxylase (CYP2C19)
Main DME 		DEGTFWK CP2CJ_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6.
2 Effects of cytochrome P450 (CYP)2C19 polymorphisms on pharmacokinetics of phenobarbital in neonates and infants with seizures. Arch Dis Child. 2012 Jun;97(6):569-72.