Compound Detail
CHEMBL152408
PIMETHIXENE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL152408 |
| Name | PIMETHIXENE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NZLVRVYNQYGMAB-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names
1
Indications
Molecular Properties
293.4
MW (Da)
4.68
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Hypersensitivity
ATC Classification
R06AX23
pimethixene
Level 1: RESPIRATORY SYSTEM
Level 2: ANTIHISTAMINES FOR SYSTEMIC USE
Activity Summary
IC50 2 meas. best 5.37
Ki 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.6 | 8.6 | 2.5 | 2 |
| Histone-lysine N-methyltransferase SETD7 CHEMBL5523 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Transcriptional activator protein LuxR CHEMBL5351 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 2.5 | nM | 8.6 | Binding affinity against 5-hydroxytryptamine 2A receptor from rat forebrain usin... | 11229772 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2.5 | nM | 8.6 | Displacement of [3H]ketanserin from Sprague-Dawley rat cerebral cortex 5-HT2A re... | 27448773 |
| Histone-lysine N-methyltransferase SETD7 | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of recombinant SET7/9 (unknown origin) using biotinylated histone H3-... | 27448773 |
| Transcriptional activator protein LuxR | IC50 | = | 56000.0 | nM | 4.25 | Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduc... | 20615699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 4 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 20615699 | 10.1016/j.bmcl.2010.06.081 | Transcriptional activator protein LuxR | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| - | 10.6019/CHEMBL4651402 | Vero C1008 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 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 | Sodium-dependent serotonin transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent noradrenaline transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Acetylcholinesterase | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 27448773 | 10.1016/j.bmc.2016.07.024 | 5-hydroxytryptamine receptor 2A | 1 |
| 27448773 | 10.1016/j.bmc.2016.07.024 | Histone-lysine N-methyltransferase SETD7 | 1 |
Data from ChEMBL 36 via Core Engine