Compound Detail
CHEMBL290106
BITHIONOL 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL290106 |
| Name | BITHIONOL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | JFIOVJDNOJYLKP-UHFFFAOYSA-N |
37
Targets
79
Activities
4
Assay Types
0
PK Parameters
20
Publications
5
Known Names
2
Indications
1
Mechanisms
Molecular Properties
356.1
MW (Da)
5.86
ALogP
3
HBA
2
HBD
40.5
PSA (Ų)
0.71
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Withdrawn |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Acne Vulgaris Helminthiasis
ATC Classification
D10AB01
bithionol
Level 1: DERMATOLOGICALS
Level 2: ANTI-ACNE PREPARATIONS
P02BX01
bithionol
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTHELMINTICS
Drug Warnings
Withdrawn
dermatological toxicity
shown to be a potent photosensitizer with the potential to cause serious skin disorders
Withdrawn
dermatological toxicity
shown to be a potent photosensitizer with the potential to cause serious skin disorders
Withdrawn
dermatological toxicity
shown to be a potent photosensitizer with the potential to cause serious skin disorders
Withdrawn
dermatological toxicity
Dermatologic Toxicity
Withdrawn
dermatological toxicity
Dermatologic Toxicity
Withdrawn
dermatological toxicity
Photosensitivity reactions
Withdrawn
dermatological toxicity
Photosensitivity reactions
Activity Summary
IC50 58 meas. best 9.0
Ki 13 meas. best 6.33
EC50 6 meas. best 6.0
Kd 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.0 | 6.3511 | 1.0 | 19 |
| Transthyretin CHEMBL3194 | Kd | 7.21 | 6.585 | 62.0 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.5 | 6.5 | 318.0 | 1 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 6.42 | 6.42 | 385.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 6.33 | 6.33 | 468.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.25 | 6.25 | 560.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.21 | 6.21 | 614.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.2 | 6.2 | 638.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 6.18 | 6.18 | 655.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | IC50 | 6.08 | 6.08 | 829.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 6.0 | 5.45 | 1000.0 | 2 |
| Adenosine receptor A2a CHEMBL251 | IC50 | 5.93 | 5.93 | 1167.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.92 | 5.28 | 1210.0 | 4 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 5.91 | 5.91 | 1226.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.91 | 5.91 | 1225.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.91 | 5.91 | 1235.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.84 | 5.84 | 1433.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.84 | 5.84 | 1434.0 | 1 |
| Substance-K receptor CHEMBL2327 | Ki | 5.81 | 5.81 | 1553.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.76 | 5.76 | 1733.0 | 1 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 5.74 | 5.74 | 1840.0 | 1 |
| Solute carrier family 22 member 2 CHEMBL1743122 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.72 | 5.72 | 1898.9 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 5.67 | 5.67 | 2147.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.66 | 5.66 | 2181.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.65 | 5.65 | 2255.0 | 1 |
| Solute carrier family 22 member 1 CHEMBL5685 | IC50 | 5.65 | 5.53 | 2230.0 | 2 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.65 | 5.65 | 2236.0 | 1 |
| Transthyretin CHEMBL3194 | IC50 | 5.62 | 5.57 | 2400.0 | 2 |
| HSP60/HSP10 CHEMBL4106131 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.5 | 5.5 | 3152.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 5.42 | 5.42 | 3824.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.4 | 5.4 | 3940.9 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 5.38 | 5.38 | 4218.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.37 | 5.37 | 4320.0 | 1 |
| GroEL/GroES CHEMBL4106139 | IC50 | 5.37 | 5.13 | 4300.0 | 2 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 5.36 | 5.36 | 4392.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.34 | 5.34 | 4599.0 | 1 |
| Substance-K receptor CHEMBL2327 | IC50 | 5.33 | 5.33 | 4659.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.32 | 5.32 | 4751.1 | 1 |
| Multidrug and toxin extrusion protein 1 CHEMBL1743126 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 5.26 | 5.26 | 5515.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 5.26 | 5.26 | 5507.0 | 1 |
| Solute carrier family 22 member 3 CHEMBL2073673 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 5.21 | 5.21 | 6160.0 | 1 |
| Multidrug and toxin extrusion protein 2 CHEMBL1743127 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 5.17 | 5.17 | 6789.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.09 | 5.09 | 8147.1 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.06 | 5.06 | 8780.0 | 1 |
| Pup--protein ligase CHEMBL5169231 | IC50 | 4.8 | 4.8 | 15900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine