Compound Detail
CHEMBL153479
AMBROXOL 🧪 Phase III
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL153479 |
| Name | AMBROXOL |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | JBDGDEWWOUBZPM-XYPYZODXSA-N |
4
Targets
7
Activities
3
Assay Types
0
PK Parameters
20
Publications
2
Known Names
8
Indications
Molecular Properties
378.1
MW (Da)
3.19
ALogP
3
HBA
3
HBD
58.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Parkinson Disease Pharyngitis Respiratory Tract Diseases Amyotrophic Lateral Sclerosis Cough Dementia Gaucher Disease Lewy Body Disease
ATC Classification
R02AD05
ambroxol
Level 1: RESPIRATORY SYSTEM
Level 2: THROAT PREPARATIONS
R05CB06
ambroxol
Level 1: RESPIRATORY SYSTEM
Level 2: COUGH AND COLD PREPARATIONS
Activity Summary
IC50 5 meas. best 6.25
EC50 1 meas. best 4.53
Ki 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 6.25 | 6.25 | 557.4 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.74 | 5.74 | 1802.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 5.47 | 5.47 | 3391.0 | 1 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.09 | 4.8 | 8100.0 | 2 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | EC50 | 4.53 | 4.53 | 29400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2D6 | IC50 | = | 557.4 | nM | 6.25 | DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | - |
| Sodium-dependent serotonin transporter | Ki | = | 1802.0 | nM | 5.74 | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand bind... | - |
| Sodium-dependent serotonin transporter | IC50 | = | 3391.0 | nM | 5.47 | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand bind... | - |
| Lysosomal acid glucosylceramidase | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of beta-glucocerebrosidase in human fibroblast lysate using 4-methylu... | 22762530 |
| Unchecked | IC50 | = | 8100.0 | nM | 5.09 | Mixed type inhibition of human recombinant glucocerebrosidase at pH 6.7 | 33395289 |
| Lysosomal acid glucosylceramidase | EC50 | = | 29400.0 | nM | 4.53 | Positive allosteric modulation of GCase in human Fibroblast cells using GBA1-FQ2... | 38932616 |
| Unchecked | IC50 | = | 31000.0 | nM | 4.51 | Mixed type inhibition of human recombinant glucocerebrosidase at pH 5.6 | 33395289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9961-1 | Cavia porcellus | 12 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 5 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 5 |
| 37468498 | 10.1038/s41467-023-40064-9 | Cannabinoid receptor 1 | 5 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 5 |
| 22762530 | 10.1021/jm3006178 | ADMET | 4 |
| 22762530 | 10.1021/jm3006178 | Lysosomal acid glucosylceramidase | 4 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 4 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 4 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 4 |
| 38932616 | 10.1021/acs.jmedchem.4c00702 | Lysosomal acid glucosylceramidase | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Androgen receptor | 3 |
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 3 |
| 33395289 | 10.1021/acs.jmedchem.0c01664 | Unchecked | 3 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Kappa-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine