Compound Detail
CHEMBL942
BISACODYL 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL942 |
| Name | BISACODYL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | KHOITXIGCFIULA-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL3544537 |
5
Targets
7
Activities
2
Assay Types
1
PK Parameters
20
Publications
14
Known Names
2
Indications
1
Mechanisms
Molecular Properties
361.4
MW (Da)
4.11
ALogP
5
HBA
0
HBD
65.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2004 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Constipation Constipation
ATC Classification
A06AB02
bisacodyl
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR CONSTIPATION
A06AB52
bisacodyl, combinations
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR CONSTIPATION
A06AG02
bisacodyl
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR CONSTIPATION
Activity Summary
IC50 5 meas. best 6.04
Ki 2 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.04 | 6.04 | 908.4 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.01 | 6.01 | 975.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.76 | 5.76 | 1755.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.66 | 5.66 | 2208.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.61 | 5.61 | 2437.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.25 | 4.25 | 56360.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.03433 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 908.43 | nM | 6.04 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Kappa-type opioid receptor | Ki | = | 975.0 | nM | 6.01 | DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorph... | - |
| Sodium-dependent dopamine transporter | Ki | = | 1755.0 | nM | 5.76 | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | - |
| Sodium-dependent dopamine transporter | IC50 | = | 2208.0 | nM | 5.66 | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | - |
| Kappa-type opioid receptor | IC50 | = | 2437.0 | nM | 5.61 | DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorph... | - |
| Cytochrome P450 2C9 | IC50 | = | 10000.0 | nM | 5.0 | DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | - |
| Bile salt export pump | IC50 | = | 56360.0 | nM | 4.25 | Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21... | 22961681 |
Literature References
Data from ChEMBL 36 via Core Engine