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Compound Detail

CHEMBL1762

TOCAINIDE
💊 Approved Drug
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💊 Approved Drug
Cc1cccc(C)c1NC(=O)C(C)N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1762
Name TOCAINIDE
Phase Approved
Structure Type MOL
InChI Key BUJAGSGYPOAWEI-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Tocainida Tocainide W-36095
0
Targets
7
Activities
1
Assay Types
11
PK Parameters
20
Publications
3
Known Names
1
Indications

Molecular Properties

192.3
MW (Da)
1.59
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1984
Availability Discontinued
Chirality Racemic

Routes of Administration

Oral

Flags

Black Box Warning Natural Product
USAN Year 1976

Extended Properties

Molecular Formula C11H16N2O
MW 192.26
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.14

Indications

Arrhythmias, Cardiac

ATC Classification

C01BB03
tocainide
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY

Activity Summary

IC50 7 meas.

Pharmacokinetic Data

Parameter Value Units Species
CL 2.2 mL.min-1.kg-1 Homo sapiens
CL 1.4 mL.min-1.kg-1 Homo sapiens
CL 2.2 mL.min-1.kg-1 Homo sapiens
CL 2.2 mL.min-1.kg-1 Homo sapiens
F 80.0 % Homo sapiens
Fu 0.87 - Homo sapiens
Fu 0.87 - Homo sapiens
Fu 0.7458 - Homo sapiens
Fu 0.64 - Rattus norvegicus
MRT 14.0 hr Homo sapiens
T1/2 12.0 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 430
16472241 10.2174/1570163043334794 Hepatotoxicity 18
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
24568674 10.1021/jm401864b Unchecked 8
20070106 10.1021/jm901371v Homo sapiens 8
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
513065 10.1021/jm00196a006 Mus musculus 7
7205874 10.1021/jm00133a011 Mus musculus 7
513066 10.1021/jm00196a007 Canis familiaris 5
513065 10.1021/jm00196a006 Canis familiaris 5
513066 10.1021/jm00196a007 Mus musculus 5
7205874 10.1021/jm00133a011 Canis familiaris 5
18426954 10.1124/dmd.108.020479 ADMET 4
24568674 10.1021/jm401864b Albumin 4
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 4
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 4
37468498 10.1038/s41467-023-40064-9 Histamine H1 receptor 3
7288820 10.1021/jm00141a008 Mus musculus 3
3806567 10.1021/jm00157a005 Cavia porcellus 3

Data from ChEMBL 36 via Core Engine