BROMHEXINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: R05CB02
UNII: Q1J152VB1P

Structure
InChI Key OJGDCBLYJGHCIH-UHFFFAOYSA-N
Smile CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1
InChI
InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20Br2N2
Molecular Weight 376.14
AlogP 4.56
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 29.26
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 195.8 - - -
Enzyme Hydrolase
- - - - -7.008-24.71
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 7.62-29.11
Membrane receptor
- 61 - 25 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 2091 - 1111 -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 20270 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Malaria 1 D008288 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 77032
ChEMBL CHEMBL253376
DrugBank DB09019
DrugCentral 402
EPA CompTox DTXSID6022686
FDA SRS Q1J152VB1P
Guide to Pharmacology 11218
PubChem 2442
SureChEMBL SCHEMBL19059
ZINC ZINC000000608220
CONTENTS