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theophylline 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
N-methylated xanthine derivatives	2620	58-55-9

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: aminophyllin aminophylline theophylline 1,3-Dimethylxanthine armophylline cetraphylline chronophyllin duraphyllin elixophyllin elixophylline etheophyl lanophyllin pseudotheophylline theophyllin throphylline xanthium theophylline anhydrous aminophylline dihydrate theophylline sodium glycinate theophylline monohydrate	A plant genus of the family ASTERACEAE. The name "prickly burweed" is sometimes used but causes confusion with AMSINCKIA. Molecular weight: 180.17 Formula: C7H8N4O2 CLOGP: -0.03 LIPINSKI: 0 HAC: 6 HDO: 1 TPSA: 69.30 ALOGS: -0.80 ROTB: 0 Status: OFP Legend: OFP - off patent OFM - off market ONP - on patent

Molecule

Description

Molfile Inchi Smiles

Synonyms:

aminophyllin
aminophylline
theophylline
1,3-Dimethylxanthine
armophylline
cetraphylline
chronophyllin
duraphyllin
elixophyllin
elixophylline
etheophyl
lanophyllin
pseudotheophylline
theophyllin
throphylline
xanthium
theophylline anhydrous
aminophylline dihydrate
theophylline sodium glycinate
theophylline monohydrate

A plant genus of the family ASTERACEAE. The name "prickly burweed" is sometimes used but causes confusion with AMSINCKIA.

Molecular weight: 180.17
Formula: C7H8N4O2
CLOGP: -0.03
LIPINSKI: 0
HAC: 6
HDO: 1
TPSA: 69.30
ALOGS: -0.80
ROTB: 0

Status: OFP

Legend:
OFP - off patent
OFM - off market
ONP - on patent

Drug dosage:

Dose	Unit	Route
0.40	g	O
0.40	g	P
0.40	g	R
0.60	g	O
0.60	g	P
0.60	g	R

ADMET properties:

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Property	Value	Reference
S (Water solubility)	8.30 mg/mL	Benet LZ, Broccatelli F, Oprea TI
t_half (Half-life)	7.20 hours	Lombardo F, Berellini G, Obach RS
MRTD (Maximum Recommended Therapeutic Daily Dose)	48.12 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
EoM (Fraction excreted unchanged in urine)	18 %	Benet LZ, Broccatelli F, Oprea TI
BA (Bioavailability)	1 %	Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K
BDDCS (Biopharmaceutical Drug Disposition Classification System)	1	Benet LZ, Broccatelli F, Oprea TI
CL (Clearance)	0.86 mL/min/kg	Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma)	0.61 %	Lombardo F, Berellini G, Obach RS
Vd (Volume of distribution)	0.51 L/kg	Lombardo F, Berellini G, Obach RS

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Approvals:

Date	Agency	Company	Orphan
April 19, 1940	FDA	GD SEARLE LLC

FDA Adverse Event Reporting System (Female)

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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
Asthma	662.75	13.78	496	26311	127065	63335150
Wheezing	528.16	13.78	386	26421	95209	63367006
Dyspnoea	231.56	13.78	706	26101	660607	62801608
Productive cough	206.19	13.78	188	26619	63020	63399195
Chronic obstructive pulmonary disease	176.77	13.78	172	26635	62514	63399701
Sputum discoloured	161.14	13.78	95	26712	16252	63445963
Rales	149.87	13.78	83	26724	12614	63449601
Cough	136.77	13.78	348	26459	292395	63169820
Forced expiratory volume decreased	123.55	13.78	54	26753	4914	63457301
Breath sounds abnormal	119.38	13.78	68	26739	10905	63451310

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FDA Adverse Event Reporting System (Male)

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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
Asthma	628.31	13.96	343	17448	42313	34896827
Wheezing	325.34	13.96	223	17568	41179	34897961
Chronic obstructive pulmonary disease	244.58	13.96	201	17590	48717	34890423
Obstructive airways disorder	204.09	13.96	116	17675	15378	34923762
Right atrial hypertrophy	171.63	13.96	46	17745	759	34938381
Forced expiratory volume decreased	154.47	13.96	59	17732	3144	34935996
Full blood count abnormal	152.23	13.96	103	17688	18565	34920575
Bronchial secretion retention	150.48	13.96	48	17743	1488	34937652
Bronchial wall thickening	147.53	13.96	46	17745	1322	34937818
Dyspnoea	146.24	13.96	471	17320	376311	34562829

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FDA Adverse Event Reporting System (Geriatric)

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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
Asthma	1002.69	12.47	697	39152	134398	79570141
Wheezing	716.56	12.47	537	39312	116127	79588412
Chronic obstructive pulmonary disease	356.22	12.47	314	39535	85105	79619434
Productive cough	285.83	12.47	282	39567	88049	79616490
Dyspnoea	283.91	12.47	1004	38845	856021	78848518
Forced expiratory volume decreased	241.38	12.47	104	39745	7710	79696829
Obstructive airways disorder	236.56	12.47	164	39685	31295	79673244
Sleep disorder due to a general medical condition	181.92	12.47	104	39745	14173	79690366
Cough	169.43	12.47	483	39366	366306	79338233
Sputum discoloured	164.97	12.47	114	39735	21629	79682910

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FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

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Source	Code	Description
ATC	R03DA04	RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES Xanthines
ATC	R03DA05	RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES Xanthines
ATC	R03DA54	RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES Xanthines
ATC	R03DA55	RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES Xanthines
ATC	R03DA74	RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES Xanthines
ATC	R03DB04	RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES Xanthines and adrenergics
ATC	R03DB05	RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES Xanthines and adrenergics
CHEBI has role	CHEBI:35523	bronchodilator
CHEBI has role	CHEBI:38147	cardiotonic drugs
CHEBI has role	CHEBI:35620	vasodilator agents

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

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Disease	Relation	SNOMED_ID	DOID
Bronchospasm	indication	4386001
Disorder of lung	indication	19829001	DOID:850
Bronchitis	indication	32398004	DOID:6132
Pulmonary emphysema	indication	87433001
Asthma	indication	195967001	DOID:2841
Asthma night-time symptoms	indication	395022009
Asthma management	indication	406162001
Acute exacerbation of asthma	indication	708038006
Asthma-chronic obstructive pulmonary disease overlap syndrome	indication	10692761000119107
COPD Associated with Chronic Bronchitis	indication

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🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	7.46	acidic
pKa2	3.01	Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Bioact source	MoA source
cGMP-inhibited 3',5'-cyclic phosphodiesterase A	Enzyme	Q14432	PDE3A_HUMAN	INHIBITOR	Ki	3.85	WOMBAT-PK	CHEMBL
cAMP-specific 3',5'-cyclic phosphodiesterase 4A	Enzyme	P27815	PDE4A_HUMAN	INHIBITOR	Ki	4.11	WOMBAT-PK	CHEMBL
Adenosine receptor A1	GPCR	P30542	AA1R_HUMAN	ANTAGONIST	Ki	9.22	CHEMBL	CHEMBL
Adenosine receptor A2b	GPCR	P29275	AA2BR_HUMAN	ANTAGONIST	Ki	5.57	CHEMBL	CHEMBL
Adenosine receptor A2a	GPCR	P29274	AA2AR_HUMAN	ANTAGONIST	Ki	9.22	CHEMBL	CHEMBL
Transmembrane domain-containing protein TMIGD3	Unclassified	P0DMS9	TMIG3_HUMAN		Ki	4.06	CHEMBL
Adenosine receptor A3	GPCR	P0DMS8	AA3R_HUMAN	ANTAGONIST	Ki	7.85	CHEMBL
Alkaline phosphatase, tissue-nonspecific isozyme	Enzyme	P05186	PPBT_HUMAN		Ki	4.09	CHEMBL
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	Kinase	O00329	PK3CD_HUMAN		IC50	4.12	CHEMBL
Adenosine receptor A2a	GPCR		AA2AR_RAT		Ki	5.17	CHEMBL

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External reference:

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ID	Source
TEP	PDB_CHEM_ID
000602	NDDF
000603	NDDF
000607	NDDF
000608	NDDF
10438	RXNORM
111131008	SNOMEDCT_US
2086	MMSL
2153	PUBCHEM_CID
3058	MMSL

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Pharmaceutical products:

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Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
Aminophylline	HUMAN PRESCRIPTION DRUG LABEL	1	0404-9813	INJECTION, SOLUTION	25 mg	INTRAVENOUS	ANDA	12 sections
Aminophylline	HUMAN PRESCRIPTION DRUG LABEL	1	0404-9813	INJECTION, SOLUTION	25 mg	INTRAVENOUS	ANDA	12 sections
Aminophylline	HUMAN PRESCRIPTION DRUG LABEL	1	0404-9814	INJECTION, SOLUTION	25 mg	INTRAVENOUS	ANDA	12 sections
Aminophylline	HUMAN PRESCRIPTION DRUG LABEL	1	0404-9814	INJECTION, SOLUTION	25 mg	INTRAVENOUS	ANDA	12 sections
Aminophylline	HUMAN PRESCRIPTION DRUG LABEL	1	0404-9814	INJECTION, SOLUTION	25 mg	INTRAVENOUS	ANDA	12 sections
Aminophylline	HUMAN PRESCRIPTION DRUG LABEL	1	0409-5921	INJECTION, SOLUTION	25 mg	INTRAVENOUS	ANDA	22 sections
Aminophylline	HUMAN PRESCRIPTION DRUG LABEL	1	0409-5921	INJECTION, SOLUTION	25 mg	INTRAVENOUS	ANDA	22 sections
Aminophylline	HUMAN PRESCRIPTION DRUG LABEL	1	0409-5922	INJECTION, SOLUTION	25 mg	INTRAVENOUS	ANDA	22 sections
Aminophylline	HUMAN PRESCRIPTION DRUG LABEL	1	0409-5922	INJECTION, SOLUTION	25 mg	INTRAVENOUS	ANDA	22 sections
ELIXOPHYLLIN	Human Prescription Drug Label	1	17856-0644	LIQUID	80 mg	ORAL	ANDA	21 sections

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