PENTOBARBITAL

Search structure
Trade Names:
Synonyms:
Status: Approved (1973) Withdrawn (1980)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N05CA01
UNII: I4744080IR

Structure
InChI Key WEXRUCMBJFQVBZ-UHFFFAOYSA-N
Smile CCCC(C)C1(CC)C(=O)NC(=O)NC1=O
InChI
InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18N2O3
Molecular Weight 226.28
AlogP 1.18
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 75.27
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 16.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR GABA-A receptor; anion channel positive allosteric modulator PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor
50000 1700-40000 - - -
Ion channel Voltage-gated ion channel Potassium channels Two-pore domain potassium channel
- - - - 4
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 1-8
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 94

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Status Epilepticus 3 D013226 ClinicalTrials
Brain Injuries 3 D001930 ClinicalTrials
Heart Diseases 1 D006331 ClinicalTrials
Substance-Related Disorders 1 D019966 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 76-74-4
ChEBI 7983
ChEMBL CHEMBL448
DrugBank DB00312
DrugCentral 2095
EPA CompTox DTXSID7023435
FDA SRS I4744080IR
Human Metabolome Database HMDB0014457
Guide to Pharmacology 5480
KEGG C07422
PharmGKB PA450859
PubChem 4737
SureChEMBL SCHEMBL24966
ZINC ZINC00004840
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