Compound Detail
CHEMBL1271
PENTOLINIUM 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1271 |
| Name | PENTOLINIUM |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XSBSKEQEUFOSDD-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names
Molecular Properties
240.4
MW (Da)
2.64
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1982 |
| Availability | Discontinued |
| Chirality | Achiral |
Activity Summary
Ki 2 meas. best 4.14
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.14 | 4.14 | 72200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 72200.0 | nM | 4.14 | Displacement of [3H]alpha-bungarotoxin from nAChR in honeybee head membrane afte... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Acetylcholinesterase | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Vascular endothelial growth factor receptor 2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Amine oxidase [flavin-containing] A | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent serotonin transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent noradrenaline transporter | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Neuronal acetylcholine receptor subunit alpha-4 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| - | 10.1584/jpestics.17.4_231 | Nicotinic acetylcholine receptor alpha 5 subunit | 1 |
Data from ChEMBL 36 via Core Engine