Compound Detail
CHEMBL533
IBUTILIDE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL533 |
| Name | IBUTILIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | ALOBUEHUHMBRLE-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
2
Targets
6
Activities
1
Assay Types
12
PK Parameters
20
Publications
2
Known Names
1
Indications
Molecular Properties
384.6
MW (Da)
4.16
ALogP
4
HBA
2
HBD
69.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1995 |
| Availability | Prescription |
| Chirality | Racemic |
Indications
Arrhythmias, Cardiac
ATC Classification
C01BD05
ibutilide
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY
Activity Summary
IC50 6 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 8.0 | 7.904 | 10.0 | 5 |
| Voltage-gated L-type calcium channel CHEMBL2095229 | IC50 | 4.2 | 4.2 | 62500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 25.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 26.0 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.6 | - | Homo sapiens |
| Fu | 0.091 | - | Homo sapiens |
| Fu | 0.078 | - | Macaca fascicularis |
| Fu | 0.119 | - | Canis lupus familiaris |
| Fu | 0.075 | - | Cavia porcellus |
| Fu | 0.114 | - | Mus musculus |
| Fu | 0.081 | - | Rattus norvegicus |
| Fu | 0.104 | - | Rattus norvegicus |
| MRT | 7.7 | hr | Homo sapiens |
| T1/2 | 7.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human Potassium channel HERG expressed in mammalian cells | 12873512 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 10.0 | nM | 8.0 | Inhibitory concentration against potassium channel HERG | 15911273 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human ERG expressed in CHO cells by whole cell patch clamp techniq... | 18448342 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 15.14 | nM | 7.82 | Inhibition of human ERG | 21185626 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 20.0 | nM | 7.7 | Inhibitory concentration against IKr potassium channel | 15324906 |
| Voltage-gated L-type calcium channel | IC50 | = | 62500.0 | nM | 4.2 | Inhibition of Cav1.2 current measured using QPatch automatic path clamp system i... | 23812503 |
Literature References
Data from ChEMBL 36 via Core Engine