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]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 231.08
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [2]
Bioavailability
75% of drug becomes completely available to its intended biological destination(s) [3]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 4.1928 micromolar/kg/day [4]
Water Solubility
The ability of drug to dissolve in water is measured as 11 mg/mL [2]
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
PubChem CID
3517
CAS Number
5051-62-7
DrugBank ID
DB00629
TTD ID
D02YCH
INTEDE ID
DR0850

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 [5]
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 BDDCS applied to over 900 drugs
3 Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
4 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
5 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.