General Information of the Compound
Compound ID
CP0072788
Compound Name
Bromhexine
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Synonyms
2,4-Dibromo-6-((cyclohexyl(methyl)amino)methyl)aniline hydrochloride
2-Amino-3,5-dibromo-N-cyclohexyl-N-methylbenzylamine hydrochloride
611-75-6
AK163668
Auxit
Bisolvon
Bromhexine
Bromhexine (hydrochloride)
Bromhexine HCl
Bromhexine chloride
Bromhexine hydrochloride
Bromohexine hydrochloride
Bromohexine monohydrochloride
Broncokin
CHEBI:31303
N-(2-Amino-3,5-dibromobenzyl)-N-methyl-cyclohexylammonium chloride
NCGC00095005-01
Quentan
UNII-YC2ZOM3Z8V
Viscolyt
YC2ZOM3Z8V
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Structure
Formula
C14H20Br2N2
Molecular Weight
376.136
Canonical SMILES
CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1
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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
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InChIKey
OJGDCBLYJGHCIH-UHFFFAOYSA-N
CAS
3572-43-8
Physicochemical Property
logP
4.5583
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
29.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 2442
SID: 14902195
ChEMBL ID
CHEMBL253376
DrugBank ID
DB09019
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00817, Cytochrome P450 2D6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 195.8 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Bromhexine )
Drug Name Bromhexine
Indication
Sjogren syndrome
Approved