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

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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:31252
CAS Number: 57-44-3
DrugBank ID: DB01483
TTD ID: D0E0WQ
INTEDE ID: DR0174

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)

MIA Detail

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.