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

Stem definition	Drug id	CAS RN
N-methylated xanthine derivatives	1107	519-37-9

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: aethophyllinum ascorphylline cordalin dilaphyllin etophyllin etophylline hydroxyethyltheophylline oxphylline oxyethophylline oxyethyltheophylline oxyphyllin oxyphylline oxytheonyl etofylline	etophyllin appeared once in PubMed: Wien Med Wochenschr. 1986 May 15;136(9):213-8 as a combination drug with theophylline (spelt without e, theophllin) Molecular weight: 224.22 Formula: C9H12N4O3 CLOGP: -0.87 LIPINSKI: 0 HAC: 7 HDO: 1 TPSA: 78.67 ALOGS: -1.10 ROTB: 2

Drug dosage:

None

ADMET properties:

Property	Value	Reference
BA (Bioavailability)	80 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
azlogd74	LogD at pH 7.4	-0.524		Moderate	0.69
caco2-efflux	Caco-2 efflux ratio (BA/AB)	4.365		Moderate	0.69
caco2-intrinsic-papp	Caco-2 intrinsic apparent permeability	17.947	10^-6 cm/s	Moderate	0.69
dh-clint	Dog hepatocyte intrinsic clearance	2.483	uL/min/10^6 cells	Moderate	0.69
dppb	Dog plasma protein binding (% unbound)	86.910	%	Moderate	0.69
fcs-ppb	Fetal calf serum protein binding (% unbound)	91.430	%	Moderate	0.69
herg	hERG pIC50	3.715	pIC50	Moderate	0.69
hh-clint	Human hepatocyte intrinsic clearance	1.803	uL/min/10^6 cells	Moderate	0.69
hlm-clint	Human liver microsomal intrinsic clearance	2.999	uL/min/mg protein	Moderate	0.69
hppb	Human plasma protein binding (% unbound)	78.830	%	Moderate	0.69
mdck-mdr1-efflux	MDCK-MDR1 efflux ratio	4.831		Moderate	0.69
mh-clint	Mouse hepatocyte intrinsic clearance	0.847		Moderate	0.69
mppb	Mouse plasma protein binding (% unbound)	85.910		Moderate	0.69
nih-mdck-mdr1-efflux	NIH MDCK-MDR1 efflux ratio	4.345		Moderate	0.69
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pppb	Pig plasma protein binding (% unbound)	89.700	%	Moderate	0.69
rh-clint	Rat hepatocyte intrinsic clearance	0.942	uL/min/10^6 cells	Moderate	0.69
rh-fuinc	Rat hepatocyte fraction unbound in incubation	95.960	%	Moderate	0.69
rppb	Rat plasma protein binding (% unbound)	84.660	%	Moderate	0.69
solubility-dd	Solubility at pH 7.4 in DMSO	933.254	uM	Moderate	0.69

Approvals:

None

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
MeSH PA	D001993	Bronchodilator Agents
MeSH PA	D018373	Peripheral Nervous System Agents
MeSH PA	D018927	Anti-Asthmatic Agents
MeSH PA	D019141	Respiratory System Agents

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	13.55	acidic
pKa2	1.64	Basic

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])	Mechanism action	Bioact source	MoA source
Adenosine receptor A2b	GPCR	P29275	AA2BR_HUMAN		Ki	4.76		CHEMBL

External reference:

ID	Source
D07933	KEGG_DRUG
C0059871	UMLSCUI
CHEBI:94764	CHEBI
CHEMBL699	ChEMBL_ID
1892	PUBCHEM_CID
C008749	MESH_SUPPLEMENTAL_RECORD_UI
1667	INN_ID
L164909TBI	UNII
24611	RXNORM
005937	NDDF
712689006	SNOMEDCT_US
L164909TBI	INXIGHT DRUGS

Pharmaceutical products:

None