Details of the Drug

General Information of Drug (ID: DM1TJ8F)

Drug Name
Diethylcarbamazine
Synonyms
Bitirazine; Camin; Caracide; Carbamazine; Carbilazine; Caricide; Cypip; Decacide; Diaethylcarbamazinum; Diethylcarbamazinum; Dietilcarbamazina; Ethodryl; Luxuran; Notezine; Spatonin; Diethyl carbamazine; Ditrazine Base; Banocide (TN); Camin (TN); Carbilazine (TN); Caricide (TN); Cypip (TN); Diethylcarbamazine (INN); Diethylcarbamazine [INN:BAN]; Diethylcarbamazinum [INN-Latin]; Dietilcarbamazina [INN-Spanish]; Ethodryl (TN); FR-1031; Filaribits (TN); Forte (TN); Hetrazan (TN); Spatonin (TN); N,N-Diethyl-4-methyl-1-piperazinecarboxamide; N,N-diethyl-4-methylpiperazine-1-carboxamide; 1-Diethylcarbamyl-4-methylpiperazine; 84L
Indication
Disease Entry ICD 11 Status REF
Elephantiasis N.A. Approved [1]
Loiasis N.A. Approved [1]
Lymphatic filariasis 1F66.3 Approved [2]
Onchocerciasis 1F6A Approved [1]
Therapeutic Class
Anthelmintics
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 199.29
Logarithm of the Partition Coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Absorption
The drug is rapidly absorbed following oral administration []
Elimination
35% of drug is excreted from urine in the unchanged form [3]
Half-life
The concentration or amount of drug in body reduced by one-half in 8 hours [4]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 30.10562 micromolar/kg/day [5]
Water Solubility
The ability of drug to dissolve in water is measured as 63.7 mg/mL [3]
Chemical Identifiers
Formula
C10H21N3O
IUPAC Name
N,N-diethyl-4-methylpiperazine-1-carboxamide
Canonical SMILES
CCN(CC)C(=O)N1CCN(CC1)C
InChI
InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3
InChIKey
RCKMWOKWVGPNJF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3052
ChEBI ID
CHEBI:4527
CAS Number
90-89-1
DrugBank ID
DB00711
TTD ID
D06RCB
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_HUMAN Inhibitor [6]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cytochrome P450 2C19 (CYP2C19) OTFMJYYE CP2CJ_HUMAN Gene/Protein Processing [7]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Elephantiasis
ICD Disease Classification
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 4.15E-01 -0.06 -0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Diethylcarbamazine FDA Label
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
3 BDDCS applied to over 900 drugs
4 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
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 Inhibition of leukotriene formation by diethylcarbamazine modifies the acid-base balance in the rabbits with blast injuries of the lungs. Vojnosanit Pregl. 1999 May-Jun;56(3):243-7.
7 Application of higher throughput screening (HTS) inhibition assays to evaluate the interaction of antiparasitic drugs with cytochrome P450s. Drug Metab Dispos. 2001 Jan;29(1):30-5.