Compound Detail
CHEMBL1615438
LEVOCABASTINE 💊 Approved Drug
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💊 Approved Drug
C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1615438 |
| Name | LEVOCABASTINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | ZCGOMHNNNFPNMX-KYTRFIICSA-N |
| Therapeutic | ✓ Yes |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
9
Publications
3
Known Names
4
Indications
Molecular Properties
420.5
MW (Da)
4.89
ALogP
3
HBA
1
HBD
64.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1993 |
| Availability | Discontinued |
| Chirality | Single Enantiomer |
Indications
Eye Manifestations Nasal Obstruction Rhinitis, Allergic, Perennial Rhinitis, Allergic, Seasonal
ATC Classification
R01AC02
levocabastine
Level 1: RESPIRATORY SYSTEM
Level 2: NASAL PREPARATIONS
S01GX02
levocabastine
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
Activity Summary
EC50 1 meas. best 7.55
Ki 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 2 CHEMBL5106 | EC50 | 7.55 | 7.55 | 28.0 | 1 |
| Neurotensin receptor type 2 CHEMBL5106 | Ki | 7.48 | 7.48 | 33.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 2 | EC50 | = | 28.0 | nM | 7.55 | Agonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as inducti... | 24856674 |
| Neurotensin receptor type 2 | Ki | = | 33.0 | nM | 7.48 | Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins ... | 24856674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16472241 | 10.2174/1570163043334794 | Hepatotoxicity | 18 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 24856674 | 10.1021/jm5003843 | Neurotensin receptor type 2 | 3 |
| 24856674 | 10.1021/jm5003843 | Neurotensin receptor type 1 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 19603833 | 10.1021/jm9004658 | Homo sapiens | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine