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

Stem definition	Drug id	CAS RN
	4390	4499-40-5

Description:

Molecule	Description
Synonyms: choline theophyllinate cholinophylline theophylline cholinate oxtriphylline	Molecular weight: 283.33 Formula: C12H21N5O3 CLOGP: LIPINSKI: None HAC: None HDO: None TPSA: 66.40 ALOGS: ROTB: None

Molecule

Description

Synonyms:

choline theophyllinate
cholinophylline
theophylline cholinate
oxtriphylline

Molecular weight: 283.33
Formula: C12H21N5O3
CLOGP:
LIPINSKI: None
HAC: None
HDO: None
TPSA: 66.40
ALOGS:
ROTB: None

Drug dosage:

Dose	Unit	Route
0.60	g	O
0.60	g	R

ADMET properties:

None

Approvals:

Date	Agency	Company	Orphan
Nov. 5, 1981	FDA	WARNER CHILCOTT LLC

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
ATC	R03DA02	RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES Xanthines
ATC	R03DB02	RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES Xanthines and adrenergics
MeSH PA	D000963	Antimetabolites
MeSH PA	D002491	Central Nervous System Agents
MeSH PA	D005765	Gastrointestinal Agents
MeSH PA	D000960	Hypolipidemic Agents
MeSH PA	D057847	Lipid Regulating Agents
MeSH PA	D008082	Lipotropic Agents
MeSH PA	D018697	Nootropic Agents
MeSH PA	D018927	Anti-Asthmatic Agents
MeSH PA	D001993	Bronchodilator Agents
MeSH PA	D002317	Cardiovascular Agents
MeSH PA	D004791	Enzyme Inhibitors
MeSH PA	D018377	Neurotransmitter Agents
MeSH PA	D018373	Peripheral Nervous System Agents
MeSH PA	D010726	Phosphodiesterase Inhibitors
MeSH PA	D058914	Purinergic Antagonists
MeSH PA	D058915	Purinergic P1 Receptor Antagonists
MeSH PA	D019141	Respiratory System Agents
MeSH PA	D014665	Vasodilator Agents
CHEBI has role	CHEBI:25512	neurotransmitters
CHEBI has role	CHEBI:33284	nutrients
CHEBI has role	CHEBI:50904	alergeno
CHEBI has role	CHEBI:75771	Mus musculus metabolites
CHEBI has role	CHEBI:75772	S. cerevisiae metabolites
CHEBI has role	CHEBI:76924	plant metabolites
CHEBI has role	CHEBI:76971	Escherichia coli metabolites
CHEBI has role	CHEBI:77746	Homo sapiens metabolite
CHEBI has role	CHEBI:83056	Daphnia magna metabolites
CHEBI has role	CHEBI:35523	bronchodilator
CHEBI has role	CHEBI:35620	vasodilator agents
CHEBI has role	CHEBI:49103	drug metabolites
CHEBI has role	CHEBI:49167	anti-asthmatic drugs
CHEBI has role	CHEBI:50218	phosphodiesterase inhibitors
CHEBI has role	CHEBI:50846	Immunologic factor
CHEBI has role	CHEBI:51371	muscle relaxants
CHEBI has role	CHEBI:67079	anti-inflammatory agents
CHEBI has role	CHEBI:71232	adenosine receptor antagonists
CHEBI has role	CHEBI:76946	fungal metabolites
CHEBI has role	CHEBI:85234	human blood serum metabolites

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

None

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Bioact source	MoA source
Phosphodiesterase 4	Enzyme	P27815 Q07343 Q08493 Q08499	PDE4A_HUMAN PDE4B_HUMAN PDE4C_HUMAN PDE4D_HUMAN	INHIBITOR	Ki	4.25	CHEMBL	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 A2 receptor	GPCR	P29274 P29275	AA2AR_HUMAN AA2BR_HUMAN	ANTAGONIST	Ki	4.85	CHEMBL	CHEMBL
Phosphodiesterase 3	Enzyme	Q13370 Q14432	PDE3B_HUMAN PDE3A_HUMAN	INHIBITOR			CHEMBL	CHEMBL
Adenosine receptor A2a	GPCR	P29274	AA2AR_HUMAN	ANTAGONIST	Ki	9.22	CHEMBL	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
Uncharacterized protein	Enzyme		E1BN64_BOVIN		Ki	4.11	CHEMBL
Adenosine receptor A3	GPCR		AA3R_RAT		Ki	4.07	CHEMBL
Adenosine receptor A1	GPCR		AA1R_BOVIN		Ki	5.42	CHEMBL
Adenosine receptor A1	GPCR		AA1R_CAVPO		Ki	5.01	CHEMBL
Adenosine A2 receptor	GPCR		AA2BR_RAT AA2AR_RAT		Ki	5.88	CHEMBL
Adenosine A2b receptor	GPCR		AA2BR_RAT		Ki	4.82	CHEMBL
Adenosine receptor	GPCR		AA1R_RAT AA3R_RAT AA2BR_RAT AA2AR_RAT		Ki	4.70	CHEMBL
Heart phosphodiesterase	Enzyme		E1BN64_BOVIN PDE1A_BOVIN PDE1B_BOVIN		IC50	4.04	CHEMBL
Adenosine A2a receptor	GPCR		AA2AR_CAVPO		Ki	4.89	CHEMBL
Adenosine receptor A1	GPCR		AA1R_RAT		Ki	6.15	CHEMBL
Adenosine receptor A2a	GPCR		AA2AR_RAT		Ki	5.17	CHEMBL

External reference:

ID	Source
4018630	VUID
N0000179080	NUI
4017699	VANDF
4018129	VANDF
4018630	VANDF
C0055578	UMLSCUI
CHEBI:15354	CHEBI
CHEBI:28177	CHEBI
TEP	PDB_CHEM_ID
CHEMBL1200434	ChEMBL_ID
DB01303	DRUGBANK_ID
656652	PUBCHEM_CID
10438	RXNORM
2086	MMSL
4173	MMSL
4436	MMSL
4875	MMSL
5213	MMSL
5563	MMSL
d00142	MMSL
d00756	MMSL
d03159	MMSL
000602	NDDF
000610	NDDF
002058	NDDF
111156002	SNOMEDCT_US
372810006	SNOMEDCT_US
387489007	SNOMEDCT_US
65123005	SNOMEDCT_US
66493003	SNOMEDCT_US
C0008405	UMLSCUI
C0039771	UMLSCUI
DB00122	DRUGBANK_ID
DB00277	DRUGBANK_ID
757	INN_ID
5967-84-0	SECONDARY_CAS_RN
D002794	MESH_DESCRIPTOR_UI
D013806	MESH_DESCRIPTOR_UI
305	PUBCHEM_CID
2153	PUBCHEM_CID
3K045XR58X	UNII

Pharmaceutical products:

None