Details of the Drug

General Information of Drug (ID: DM648X9)

Drug Name

Icodextrin

Synonyms

Extraneal

Indication

Disease Entry	ICD 11	Status	REF
Kidney disease	GC2Z	Approved	[1], [2]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

231.08

Topological Polar Surface Area (xlogp)

1.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [3]
Bioavailability: 75% of drug becomes completely available to its intended biological destination(s) [4]
MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 4.1928 micromolar/kg/day [5]
Water Solubility: The ability of drug to dissolve in water is measured as 11 mg/mL [3]

Chemical Identifiers

Formula: C8H8Cl2N4
IUPAC Name: 2-[(2,6-dichlorophenyl)methylideneamino]guanidine
Canonical SMILES: C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)Cl
InChI: InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
InChIKey: WDZVGELJXXEGPV-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Pancreatic alpha-amylase (AMY2A)_{Main DME}	DET64RG	AMYP_HUMAN	Substrate	[6]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	ClinicalTrials.gov (NCT00397358) Effect of Extraneal (Icodextrin)on Triglyceride Levels in PD Patients. U.S. National Institutes of Health.
3	BDDCS applied to over 900 drugs
4	Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
5	Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
6	Analytical interferences in point-of-care testing glucometers by icodextrin and its metabolites: an overview. Perit Dial Int. 2009 Jul-Aug;29(4):377-83.