Compound Detail
CHEMBL1201203
BENZTROPINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1201203 |
| Name | BENZTROPINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | GIJXKZJWITVLHI-PMOLBWCYSA-N |
| Therapeutic | ✓ Yes |
31
Targets
87
Activities
3
Assay Types
0
PK Parameters
20
Publications
5
Known Names
4
Indications
Molecular Properties
307.4
MW (Da)
4.42
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1954 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Parkinson Disease Cocaine-Related Disorders Sciatica Temporomandibular Joint Disorders
ATC Classification
N04AC01
benzatropine
Level 1: NERVOUS SYSTEM
Level 2: ANTI-PARKINSON DRUGS
Activity Summary
IC50 44 meas. best 9.26
Ki 41 meas. best 9.88
EC50 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 9.88 | 9.88 | 0.1 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 9.56 | 9.56 | 0.3 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 9.48 | 9.48 | 0.3 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 9.43 | 9.43 | 0.4 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 9.26 | 9.26 | 0.5 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 9.23 | 9.16 | 0.6 | 3 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 8.89 | 8.295 | 1.3 | 2 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 8.84 | 8.84 | 1.5 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 8.62 | 8.46 | 2.4 | 2 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Histamine H1 receptor CHEMBL231 | IC50 | 8.5 | 8.5 | 3.2 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 8.44 | 8.44 | 3.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.16 | 8.16 | 7.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 8.1 | 7.0529 | 7.9 | 7 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 8.0 | 7.6 | 10.0 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 7.39 | 7.39 | 41.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 7.24 | 7.24 | 57.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 7.24 | 7.24 | 57.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.23 | 7.23 | 59.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.95 | 6.014 | 112.0 | 5 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.93 | 6.57 | 118.0 | 6 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.9 | 6.9 | 127.0 | 1 |
| Rattus norvegicus CHEMBL376 | Ki | 6.89 | 5.81 | 130.0 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 6.86 | 6.86 | 139.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 6.85 | 6.85 | 142.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.74 | 5.7817 | 183.0 | 6 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.71 | 6.71 | 193.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.69 | 6.69 | 204.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.65 | 6.65 | 222.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 6.61 | 6.5433 | 243.0 | 3 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 6.4 | 6.4 | 395.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.39 | 6.39 | 403.0 | 2 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 6.26 | 6.26 | 544.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 6.18 | 6.18 | 654.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 5.93 | 5.93 | 1185.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | IC50 | 5.92 | 5.92 | 1206.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.89 | 5.89 | 1294.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.86 | 5.86 | 1379.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.86 | 5.86 | 1391.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 5.55 | 5.55 | 2788.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16472241 | 10.2174/1570163043334794 | Hepatotoxicity | 18 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Glucocorticoid receptor | 3 |
| 9083473 | 10.1021/jm950782k | Sodium-dependent dopamine transporter | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Nuclear receptor subfamily 1 group I member 2 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Cannabinoid receptor 1 | 3 |
| 11689080 | 10.1021/jm0101592 | Rattus norvegicus | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Peroxisome proliferator-activated receptor gamma | 2 |
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| 7562926 | 10.1021/jm00020a006 | Sodium-dependent dopamine transporter | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 15857139 | 10.1021/jm0490235 | Sodium-dependent dopamine transporter | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Beta-2 adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
Data from ChEMBL 36 via Core Engine