Compound Detail
CHEMBL2103822
TASIMELTEON 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL2103822 |
| Name | TASIMELTEON |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | PTOIAAWZLUQTIO-GXFFZTMASA-N |
| Therapeutic | ✓ Yes |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
20
Publications
6
Known Names
9
Indications
1
Mechanisms
Molecular Properties
245.3
MW (Da)
2.25
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2014 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Melatonin receptor agonist | AGONIST | Melatonin receptor | ✓ | ✓ |
Indications
Sleep Disorders, Circadian Rhythm Sleep Wake Disorders Smith-Magenis Syndrome Smith-Magenis Syndrome Sleep Initiation and Maintenance Disorders Depressive Disorder, Major Kidney Diseases Liver Diseases REM Sleep Behavior Disorder
ATC Classification
N05CH03
tasimelteon
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS
Activity Summary
Ki 2 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 10.15 | 10.15 | 0.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.52 | 9.52 | 0.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.9 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 0.07 | nM | 10.15 | Binding affinity to MT2 receptor (unknown origin) assessed as inhibition constan... | 38360418 |
| Unchecked | Ki | = | 0.3 | nM | 9.52 | Binding affinity to MT1 receptor (unknown origin) assessed as inhibition constan... | 38360418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5058564 | Fibroblast | 9 |
| - | 10.6019/CHEMBL5058564 | U2OS | 8 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 7 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 2 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 2 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 2 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 2 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine