Tox | Related Drugs | BioActivity |

Stem definition	Drug id	CAS RN
mucolytic, bromhexine derivatives	402	3572-43-8

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: bromhexine bromexine bromhexine hydrochloride bromhexine HCl bromhexine monohydrochloride	A mucolytic agent used in the treatment of respiratory disorders associated with viscid or excessive mucus. (From Martindale, The Extra Pharmacopoeia, 30th ed, p744) Molecular weight: 376.14 Formula: C14H20Br2N2 CLOGP: 4.88 LIPINSKI: 0 HAC: 2 HDO: 1 TPSA: 29.26 ALOGS: -5.02 ROTB: 3

Molecule

Description

Molfile Inchi Smiles

Synonyms:

bromhexine
bromexine
bromhexine hydrochloride
bromhexine HCl
bromhexine monohydrochloride

A mucolytic agent used in the treatment of respiratory disorders associated with viscid or excessive mucus. (From Martindale, The Extra Pharmacopoeia, 30th ed, p744)

Molecular weight: 376.14
Formula: C14H20Br2N2
CLOGP: 4.88
LIPINSKI: 0
HAC: 2
HDO: 1
TPSA: 29.26
ALOGS: -5.02
ROTB: 3

Drug dosage:

Dose	Unit	Route
24	mg	O
24	mg	P

ADMET properties:

Property	Value	Reference
BA (Bioavailability)	77.50 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value
kinase-safety-class	ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70	58
kinase-selectivity-class	AXL,CDK4,EIF2AK3,GRK2,STK33,TEK,TTK	7
pfas-class	PFAS structural alert (1 = True, 0 = False)	0

Approvals:

None

FDA Adverse Event Reporting System (Female)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Pneumonia aspiration	122.64	32.92	43	2044	40897	90585463
Coma	79.55	32.92	37	2050	72595	90553765
Vaginal flatulence	73.56	32.92	22	2065	12616	90613744
Underdose	70.15	32.92	31	2056	53986	90572374
Female genital tract fistula	70.08	32.92	23	2064	17845	90608515
Proctitis	69.48	32.92	22	2065	15237	90611123
Radiculopathy	65.31	32.92	22	2065	18483	90607877
Vaginal discharge	64.22	32.92	22	2065	19442	90606918
Chronic sinusitis	63.62	32.92	23	2064	23779	90602581
Nephrosclerosis	61.26	32.92	12	2075	1157	90625203
Paraesthesia oral	60.72	32.92	24	2063	31635	90594725
Renal tubular atrophy	57.59	32.92	11	2076	929	90625431
Procedural pain	56.07	32.92	23	2064	33337	90593023
Gastrooesophageal reflux disease	55.63	32.92	39	2048	166298	90460062
Oral candidiasis	51.39	32.92	22	2065	35433	90590927
Macular degeneration	49.94	32.92	22	2065	37948	90588412
Somnolence	49.80	32.92	40	2047	209044	90417316
Kidney fibrosis	48.10	32.92	11	2076	2223	90624137
Tubulointerstitial nephritis	47.84	32.92	19	2068	25324	90601036
Frequent bowel movements	44.31	32.92	23	2064	56912	90569448
Colitis ulcerative	43.08	32.92	23	2064	60243	90566117
Haematochezia	42.26	32.92	24	2063	70889	90555471
Colitis	39.88	32.92	23	2064	69919	90556441
Rectal haemorrhage	38.82	32.92	24	2063	82720	90543640
Constipation	37.85	32.92	39	2048	280356	90346004
Anaemia	37.07	32.92	43	2044	352759	90273601

FDA Adverse Event Reporting System (Male)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Central nervous system mass	64.69	30.85	13	1651	838	42618833
Wall motion score index abnormal	64.63	30.85	13	1651	842	42618829
Airway remodelling	63.96	30.85	13	1651	887	42618784
Cardiac septal defect	63.12	30.85	13	1651	947	42618724
Atopy	62.92	30.85	13	1651	962	42618709
Eosinophilic myocarditis	58.49	30.85	13	1651	1360	42618311
Microangiopathy	55.86	30.85	13	1651	1669	42618002
Pneumonia	54.63	30.85	74	1590	422075	42197596
Chronic sinusitis	51.44	30.85	14	1650	3378	42616293
Eosinophilic pneumonia	46.42	30.85	14	1650	4860	42614811
Eosinophil count decreased	46.13	30.85	13	1651	3563	42616108
Blood immunoglobulin E increased	45.95	30.85	13	1651	3612	42616059
Nasal polyps	45.18	30.85	13	1651	3838	42615833
Ventricular hypokinesia	37.74	30.85	13	1651	6871	42612800
Eosinophil count increased	35.56	30.85	14	1650	10749	42608922
Respiratory tract infection	31.81	30.85	17	1647	26305	42593366
Respiratory symptom	31.69	30.85	13	1651	11093	42608578
Eosinophilic granulomatosis with polyangiitis	31.24	30.85	12	1652	8626	42611045
Lacrimation increased	30.97	30.85	13	1651	11745	42607926
Pneumonia aspiration	30.92	30.85	21	1643	50057	42569614

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Pneumonia aspiration	132.24	25.84	62	3819	81171	110504247
Chronic sinusitis	98.64	25.84	36	3845	25048	110560370
Vaginal flatulence	65.25	25.84	22	3859	12122	110573296
Female genital tract fistula	62.30	25.84	23	3858	16496	110568922
Pneumonia	61.73	25.84	110	3771	876604	109708814
Central nervous system mass	60.24	25.84	12	3869	822	110584596
Wall motion score index abnormal	60.14	25.84	12	3869	829	110584589
Airway remodelling	58.78	25.84	12	3869	930	110584488
Radiculopathy	58.78	25.84	23	3858	19313	110566105
Cardiac septal defect	58.30	25.84	12	3869	969	110584449
Proctitis	58.11	25.84	22	3859	16905	110568513
Vaginal discharge	56.91	25.84	22	3859	17886	110567532
Atopy	56.36	25.84	12	3869	1142	110584276
Underdose	55.58	25.84	32	3849	63522	110521896
Macular degeneration	52.86	25.84	22	3859	21637	110563781
Coma	52.80	25.84	39	3842	117830	110467588
Nephrosclerosis	49.66	25.84	12	3869	2009	110583409
Paraesthesia oral	49.52	25.84	24	3857	33647	110551771
Eosinophilic myocarditis	49.29	25.84	12	3869	2073	110583345
Procedural pain	45.33	25.84	23	3858	35542	110549876
Microangiopathy	45.07	25.84	12	3869	2960	110582458
Renal tubular atrophy	43.27	25.84	11	3870	2265	110583153
Eosinophilic pneumonia	42.43	25.84	14	3867	7213	110578205
Gastrooesophageal reflux disease	42.16	25.84	41	3840	179935	110405483
Oral candidiasis	37.69	25.84	22	3859	44738	110540680
Constipation	37.55	25.84	54	3827	357732	110227686
Eosinophil count decreased	36.71	25.84	12	3869	6006	110579412
Kidney fibrosis	36.12	25.84	11	3870	4381	110581037
Colitis ulcerative	35.53	25.84	26	3855	77337	110508081
Blood immunoglobulin E increased	34.15	25.84	12	3869	7470	110577948
Eosinophil count increased	30.92	25.84	15	3866	21043	110564375
Nasal polyps	30.83	25.84	13	3868	13187	110572231
Frequent bowel movements	30.55	25.84	23	3858	71367	110514051
Ventricular hypokinesia	29.42	25.84	12	3869	11202	110574216
Tubulointerstitial nephritis	28.97	25.84	20	3861	54264	110531154
Pyrexia	28.25	25.84	82	3799	898183	109687235
Upper respiratory tract inflammation	27.81	25.84	9	3872	4362	110581056
Colitis	27.16	25.84	25	3856	102298	110483120
Somnolence	27.04	25.84	42	3839	297407	110288011
Eosinophilic granulomatosis with polyangiitis	26.56	25.84	11	3870	10675	110574743
Haematochezia	26.43	25.84	26	3855	115498	110469920
Respiratory symptom	26.11	25.84	12	3869	14933	110570485
Hepatic function abnormal	26.03	25.84	23	3858	89272	110496146

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
ATC	R05CB02	RESPIRATORY SYSTEM COUGH AND COLD PREPARATIONS EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS Mucolytics
MeSH PA	D005100	Expectorants
MeSH PA	D019141	Respiratory System Agents
CHEBI has role	CHEBI:77034	mucolytic
CHEBI has role	CHEBI:22587	antiviral agent
CHEBI has role	CHEBI:38068	antimalarial

Related Drugs by ATC class:

R05CB Mucolytics 13 drugs

acetylcysteine ambroxol carbocisteine domiodol dornase alfa eprazinone erdosteine letosteine mannitol mesna neltenexine sobrerol show all 13 →

Drug Use | Suggest Off label Use Form| |View source of the data|

None

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	8.16	Basic
pKa2	0.87	Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Type	Activity value (-log[M])	Bioact source
Sigma non-opioid intracellular receptor 1	Membrane receptor	Q99720	SGMR1_HUMAN	Ki	7.60	DRUG MATRIX
Sodium-dependent serotonin transporter	Transporter	P31645	SC6A4_HUMAN	Ki	5.95	DRUG MATRIX
Cytochrome P450 2D6	Enzyme	P10635	CP2D6_HUMAN	IC50	6.71	DRUG MATRIX
Membrane-associated progesterone receptor component 1	Membrane receptor		PGRC1_RAT	Ki	7.44	DRUG MATRIX

External reference:

ID	Source
N0000166541	NUI
D01778	KEGG_DRUG
1601	RXNORM
C0006220	UMLSCUI
CHEBI:77032	CHEBI
CHEMBL253376	ChEMBL_ID
DB09019	DRUGBANK_ID
D001964	MESH_DESCRIPTOR_UI
2442	PUBCHEM_CID
11218	IUPHAR_LIGAND_ID
2584	INN_ID
611-75-6	SECONDARY_CAS_RN
Q1J152VB1P	UNII
NOCODE	MMSL
412102008	SNOMEDCT_US
708561003	SNOMEDCT_US
846647005	SNOMEDCT_US
CHEMBL1319139	ChEMBL_ID
003678	NDDF
003679	NDDF

Pharmaceutical products:

None

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bromhexine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Description:

Drug dosage:

ADMET properties:

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Approvals:

FDA Adverse Event Reporting System (Female)

FDA Adverse Event Reporting System (Male)

FDA Adverse Event Reporting System (Geriatric)

FDA Adverse Event Reporting System (Pediatric)

Pharmacologic Action:

Related Drugs by ATC class:

Drug Use | Suggest Off label Use Form| |View source of the data|

🐶 Veterinary Drug Use

🐶 Veterinary products

Acid dissociation constants calculated using MoKa v3.0.0

Orange Book patent data (new drug applications)

Orange Book exclusivity data (new drug applications)

Bioactivity Summary:

External reference:

Pharmaceutical products: