Compound Detail
CHEMBL3306803
LUMATEPERONE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL3306803 |
| Name | LUMATEPERONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | HOIIHACBCFLJET-SFTDATJTSA-N |
| Therapeutic | ✓ Yes |
4
Targets
6
Activities
2
Assay Types
2
PK Parameters
7
Publications
6
Known Names
5
Indications
3
Mechanisms
Molecular Properties
393.5
MW (Da)
3.92
ALogP
4
HBA
0
HBD
26.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2019 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Serotonin 2a (5-HT2a) receptor antagonist | ANTAGONIST | 5-hydroxytryptamine receptor 2A | ✓ | ✓ |
| Dopamine D2 receptor antagonist | ANTAGONIST | D(2) dopamine receptor | ✓ | ✓ |
| Serotonin transporter inhibitor | INHIBITOR | Sodium-dependent serotonin transporter | ✓ | ✓ |
Indications
Psychotic Disorders Bipolar Disorder Depressive Disorder, Major Schizophrenia Alzheimer Disease
ATC Classification
N05AD10
lumateperone
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS
Drug Warnings
Black Box Warning
General Warning
Activity Summary
IC50 5 meas. best 9.85
Ki 1 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.85 | 9.85 | 0.1 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 9.27 | 9.27 | 0.5 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.27 | 9.27 | 0.5 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 8.49 | 8.44 | 3.2 | 2 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 30.0 | hr | Rattus norvegicus |
| T1/2 | 30.0 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.14 | nM | 9.85 | Inhibition of CGRP (unknown origin) | 37657268 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 0.54 | nM | 9.27 | Antagonist activity at 5HT2A receptor (unknown origin) | 32911308 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.54 | nM | 9.27 | Binding affinity to 5-HT2A receptor (unknown origin) assessed as inhibition cons... | 37657268 |
| D(2) dopamine receptor | IC50 | = | 3.2 | nM | 8.49 | Antagonist activity at postsynaptic D2 receptor (unknown origin) | 32911308 |
| Sodium-dependent serotonin transporter | IC50 | = | 3.3 | nM | 8.48 | Inhibition of serotonin transporter (unknown origin) | 32911308 |
| D(2) dopamine receptor | IC50 | = | 4.1 | nM | 8.39 | Partial agonist activity at presynaptic D2 receptor (unknown origin) | 32911308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32911308 | 10.1016/j.ejmech.2020.112667 | D(2) dopamine receptor | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37657268 | 10.1016/j.ejmech.2023.115758 | ADMET | 2 |
| 32911308 | 10.1016/j.ejmech.2020.112667 | 5-hydroxytryptamine receptor 2A | 1 |
| 32911308 | 10.1016/j.ejmech.2020.112667 | Sodium-dependent serotonin transporter | 1 |
| 37657268 | 10.1016/j.ejmech.2023.115758 | Unchecked | 1 |
| 37657268 | 10.1016/j.ejmech.2023.115758 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine