Compound Detail
CHEMBL21731
MAPROTILINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL21731 |
| Name | MAPROTILINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | QSLMDECMDJKHMQ-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
30
Targets
67
Activities
4
Assay Types
7
PK Parameters
20
Publications
5
Known Names
7
Indications
Molecular Properties
277.4
MW (Da)
4.21
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1980 |
| Availability | Prescription |
| Chirality | Achiral |
Indications
Depressive Disorder Depressive Disorder Anxiety Dementia Schizophrenia Brain Neoplasms Glioblastoma
ATC Classification
N06AA21
maprotiline
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS
Activity Summary
Ki 31 meas. best 8.99
IC50 30 meas. best 8.06
Kd 4 meas. best 4.43
EC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 8.99 | 8.885 | 1.0 | 2 |
| Histamine H1 receptor CHEMBL231 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 7.92 | 7.72 | 12.0 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.39 | 7.39 | 41.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 7.24 | 7.24 | 58.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 7.05 | 7.05 | 90.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 6.94 | 6.94 | 115.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.88 | 6.88 | 133.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.84 | 6.84 | 143.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | IC50 | 6.79 | 6.79 | 163.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.73 | 6.565 | 187.0 | 2 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.71 | 6.71 | 195.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.67 | 6.67 | 214.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.66 | 6.48 | 219.0 | 2 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 6.64 | 6.64 | 230.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 6.54 | 6.54 | 292.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 6.47 | 6.47 | 336.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 6.43 | 6.43 | 373.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 6.41 | 6.41 | 393.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 6.4 | 6.4 | 397.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 6.38 | 6.38 | 413.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.38 | 6.38 | 414.0 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 6.37 | 6.37 | 429.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.36 | 6.36 | 442.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.36 | 5.84 | 434.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.35 | 5.8067 | 446.0 | 3 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 6.33 | 6.33 | 473.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 6.25 | 6.25 | 567.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 6.23 | 6.23 | 593.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 6.19 | 6.19 | 645.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.18 | 6.06 | 665.0 | 2 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.17 | 6.17 | 684.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.16 | 6.16 | 685.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 6.05 | 6.05 | 892.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 5.74 | 5.74 | 1824.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 5.71 | 5.71 | 1927.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.64 | 5.64 | 2312.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.54 | 5.54 | 2910.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 5.52 | 5.52 | 3044.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 5.46 | 5.46 | 3463.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.36 | 5.36 | 4322.0 | 1 |
| Voltage-dependent N-type calcium channel subunit alpha-1B CHEMBL4478 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.8 | 4.615 | 15800.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 31.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 14.0 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.12 | - | Homo sapiens |
| Fu | 0.006 | - | Rattus norvegicus |
| Fu | 0.11 | - | Homo sapiens |
| MRT | 54.0 | hr | Homo sapiens |
| T1/2 | 51.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine