PHENOBARBITAL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: N03AA02
UNII: YQE403BP4D

Structure
InChI Key DDBREPKUVSBGFI-UHFFFAOYSA-N
Smile CCC1(c2ccccc2)C(=O)NC(=O)NC1=O
InChI
InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H12N2O3
Molecular Weight 232.24
AlogP 0.7
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 75.27
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 2500 - - 5
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 11
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Seizures 3 D012640 ClinicalTrials
Neonatal Abstinence Syndrome 3 D009357 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Status Epilepticus 3 D013226 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Neutropenia 1 D009503 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 8069
ChEMBL CHEMBL40
DrugBank DB01174
DrugCentral 2134
EPA CompTox DTXSID5021122
FDA SRS YQE403BP4D
Human Metabolome Database HMDB0015305
Guide to Pharmacology 2804
KEGG C07434
PDB UQA
PharmGKB PA450911
SureChEMBL SCHEMBL16583
ZINC ZINC000095588079
CONTENTS