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Compound Detail

CHEMBL253376

BROMHEXINE
🧪 Phase III
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🧪 Phase III
CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1

Basic Information

ChEMBL ID CHEMBL253376
Name BROMHEXINE
Phase Phase III
Structure Type MOL
InChI Key OJGDCBLYJGHCIH-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Bromhexina Bromhexine Fluibron
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names
2
Indications
1
Mechanisms

Molecular Properties

376.1
MW (Da)
4.56
ALogP
2
HBA
1
HBD
29.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Year 1969

Extended Properties

Molecular Formula C14H20Br2N2
MW 376.14
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.04

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Unknown - -

Indications

Severe Acute Respiratory Syndrome Malaria

ATC Classification

R05CB02
bromhexine
Level 1: RESPIRATORY SYSTEM
Level 2: COUGH AND COLD PREPARATIONS

Activity Summary

IC50 5 meas. best 7.23
Ki 3 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sigma non-opioid intracellular receptor 1
CHEMBL287
Ki 7.6 7.6 25.0 1
Unchecked
CHEMBL612545
Ki 7.44 7.44 36.0 1
Unchecked
CHEMBL612545
IC50 7.23 7.23 59.0 1
Sigma non-opioid intracellular receptor 1
CHEMBL287
IC50 7.21 7.21 61.0 1
Cytochrome P450 2D6
CHEMBL289
IC50 6.71 6.71 195.8 1
Sodium-dependent serotonin transporter
CHEMBL228
Ki 5.95 5.95 1111.0 1
Sodium-dependent serotonin transporter
CHEMBL228
IC50 5.68 5.68 2091.0 1
Bile salt export pump
CHEMBL6020
IC50 4.69 4.69 20270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 270
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
34547896 10.1021/acs.jmedchem.1c00823 Transthyretin 4
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
20185316 10.1016/j.bmc.2010.01.068 Plasmodium falciparum 1
20185316 10.1016/j.bmc.2010.01.068 Leishmania major 1
20185316 10.1016/j.bmc.2010.01.068 Leishmania mexicana 1
20185316 10.1016/j.bmc.2010.01.068 NON-PROTEIN TARGET 1
20185316 10.1016/j.bmc.2010.01.068 Toxoplasma gondii 1
20185316 10.1016/j.bmc.2010.01.068 Trichomonas vaginalis 1
20185316 10.1016/j.bmc.2010.01.068 Trypanosoma brucei brucei 1
20185316 10.1016/j.bmc.2010.01.068 Trypanosoma brucei rhodesiense 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine