Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL40

PHENOBARBITAL
💊 Approved Drug
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
💊 Approved Drug
CCC1(c2ccccc2)C(=O)NC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40
Name PHENOBARBITAL
Phase Approved
Structure Type MOL
InChI Key DDBREPKUVSBGFI-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Fenobarbital Gardenal Luminal Noptil NSC-128143 NSC-128143- NSC-9848 Phenobarbital Phenobarbital civ Phenobarbitone
1
Targets
4
Activities
1
Assay Types
30
PK Parameters
20
Publications
10
Known Names
10
Indications

Molecular Properties

232.2
MW (Da)
0.70
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2022
Availability Withdrawn
Chirality Achiral

Routes of Administration

Parenteral

Flags

Black Box Warning Withdrawn Natural Product
USAN Stem -barb-

Extended Properties

Molecular Formula C12H12N2O3
MW 232.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.07

Indications

Epilepsy Anxiety Dementia Depressive Disorder Neonatal Abstinence Syndrome Schizophrenia Status Epilepticus Lymphoma Neutropenia Seizures

ATC Classification

N03AA02
phenobarbital
Level 1: NERVOUS SYSTEM
Level 2: ANTIEPILEPTICS

Drug Warnings

Withdrawn
drug misuse
Fatal intoxications and abuse
Country: Sweden   Year: 1985

Activity Summary

IC50 4 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel alpha subunits; brain (Types I, II, III)
CHEMBL2095171
 IC50 5.6 5.6 2500.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 0.063 mL.min-1.kg-1 Homo sapiens
CL 0.0479 mL.min-1.kg-1 Homo sapiens
CL 0.063 mL.min-1.kg-1 Homo sapiens
CL 0.063 mL.min-1.kg-1 Homo sapiens
CL 0.05 mL.min-1.kg-1 Homo sapiens
CL 0.01333 mL.min-1.kg-1 Homo sapiens
Cmax 23682.4 nM Homo sapiens
F 80.0 % Homo sapiens
F 96.0 % Homo sapiens
F 100.0 % Homo sapiens
F 94.9 % Homo sapiens
F 83.4 % Homo sapiens
Fu 0.49 - Homo sapiens
Fu 0.49 - Homo sapiens
MRT 140.0 hr Homo sapiens
T1/2 99.0 hr Homo sapiens
T1/2 117.0 hr Homo sapiens
T1/2 84.0 hr Homo sapiens
T1/2 61.0 hr Homo sapiens
T1/2 83.0 hr Homo sapiens
T1/2 119.0 hr Homo sapiens
T1/2 149.0 hr Homo sapiens
T1/2 128.0 hr Homo sapiens
T1/2 147.0 hr Homo sapiens
T1/2 122.0 hr Homo sapiens
T1/2 139.0 hr Homo sapiens
T1/2 0.18 hr Homo sapiens
Tmax 50.0 hr Homo sapiens
Tmax 18.0 hr Homo sapiens
Tmax 2.3 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel alpha subunits; brain (Types I, II, III) IC50 = 2500.0 nM 5.6 Inhibition of [3H]BTX-B binding to neurotoxin site 2 of sodium channel of rat ce... 7562939

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885861 Rattus norvegicus 1420
- 10.6019/CHEMBL3885881 Rattus norvegicus 818
626078 10.1111/j.1651-2227.1978.tb16302.x Homo sapiens 20
7068937 10.1002/j.1552-4604.1982.tb02662.x Homo sapiens 19
8691481 10.1021/jm950761q Mus musculus 16
2308142 10.1021/jm00165a007 Mus musculus 16
25171781 10.1016/j.ejmech.2014.08.057 Danio rerio 12
31035240 10.1016/j.ejmech.2019.04.020 ADMET 12
1495012 10.1021/jm00093a012 Rattus norvegicus 11
- 10.1007/s00044-010-9313-6 Mus musculus 11
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
3820228 10.1021/jm00386a021 Mus musculus 9
626078 10.1111/j.1651-2227.1978.tb16302.x ADMET 9
20116140 10.1016/j.ejmech.2009.12.062 Mus musculus 9
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
21862182 10.1016/j.ejmech.2011.07.027 Mus musculus 8
20070106 10.1021/jm901371v Homo sapiens 8
8691481 10.1021/jm950761q Rattus norvegicus 8
8035421 10.1021/jm00040a006 Mus musculus 8
16789751 10.1021/jm060230+ ADMET 8

Data from ChEMBL 36 via Core Engine