Compound Detail
CHEMBL1411979
METHAPYRILENE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1411979 |
| Name | METHAPYRILENE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | HNJJXZKZRAWDPF-UHFFFAOYSA-N |
15
Targets
29
Activities
2
Assay Types
3
PK Parameters
20
Publications
11
Known Names
1
Indications
Molecular Properties
261.4
MW (Da)
2.71
ALogP
4
HBA
0
HBD
19.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Withdrawn |
| Chirality | Achiral |
Indications
Hypersensitivity
ATC Classification
R06AC05
methapyrilene
Level 1: RESPIRATORY SYSTEM
Level 2: ANTIHISTAMINES FOR SYSTEMIC USE
Drug Warnings
Withdrawn
carcinogenicity
suspected carcinogenicity
Withdrawn
General Warning
health risks associated with use
Activity Summary
IC50 15 meas. best 7.8
Ki 14 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Histamine H1 receptor CHEMBL231 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.97 | 6.97 | 106.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.41 | 6.41 | 390.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.36 | 6.36 | 437.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.27 | 6.27 | 537.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.23 | 6.23 | 592.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 6.2 | 6.2 | 628.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.13 | 6.13 | 744.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 6.07 | 6.07 | 843.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.94 | 5.94 | 1150.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.94 | 5.94 | 1157.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 5.93 | 5.93 | 1165.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.86 | 5.86 | 1380.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.86 | 5.86 | 1391.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.84 | 5.84 | 1435.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.82 | 5.82 | 1515.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 5.78 | 5.78 | 1665.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.76 | 5.76 | 1736.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.66 | 5.66 | 2190.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 5.63 | 5.63 | 2346.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.56 | 5.56 | 2757.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 5.56 | 5.56 | 2756.4 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 5.51 | 5.51 | 3091.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 5.49 | 5.49 | 3265.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 5.48 | 5.48 | 3318.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.32 | 5.32 | 4773.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 28.0 | mL.min-1.kg-1 | Homo sapiens |
| MRT | 2.0 | hr | Homo sapiens |
| T1/2 | 1.6 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885861 | Rattus norvegicus | 1437 |
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 669 |
| 18426954 | 10.1124/dmd.108.020479 | ADMET | 4 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 21965623 | 10.1124/dmd.111.040758 | Bile salt export pump | 2 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| 20843939 | 10.1124/dmd.110.035113 | Hepatotoxicity | 2 |
| 21965623 | 10.1124/dmd.111.040758 | Plasma | 1 |
| 22961681 | 10.1124/dmd.112.047068 | Bile salt export pump | 1 |
| 33226219 | 10.1021/acs.jnatprod.0c00946 | No relevant target | 1 |
| 33226219 | 10.1021/acs.jnatprod.0c00946 | Salmon testes DNA | 1 |
| 20553011 | 10.1021/tx1000865 | Hepatotoxicity | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 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 |
Data from ChEMBL 36 via Core Engine