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]
Affected Organisms
Humans and other mammals
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
UNII
GGD30112WC
DrugBank ID
DB00629
TTD ID
D02YCH
INTEDE ID
DR0850
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.