Details of the Drug

General Information of Drug (ID: DME4RA8)

Drug Name
Amodiaquine
Synonyms
Amodiachin; Amodiachinum; Amodiaquin; Amodiaquina; Amodiaquinum; Basoquin; CQA; Camochin; Camoquin; Camoquinal; Camoquine; Flavoquin; Flavoquine; Miaquin; Sunoquine; Amodiaquine hydrochloride; Amodiaquine USP24; SN 10751; AMODIAQUINE, FLAVOQUINE; Amodiaquina [INN-Spanish]; Amodiaquinum [INN-Latin]; CAM-AQ 1; CAM-AQI; Cam-AQ1; Camoquin (TN); Flavoquine (TN); SN 10,751; WR-002977; Amodiaquine (USAN/INN); Amodiaquine [USAN:INN:BAN]; Amodiaquine, ring-closed; S. N. 10751
Indication
Disease Entry ICD 11 Status REF
Malaria 1F40-1F45 Approved [1]
Therapeutic Class
Antimalarials
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 355.9
Topological Polar Surface Area (xlogp) 2.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Absorption
The drug is rapidly absorbed following oral administration [2]
Bioavailability
75% of drug becomes completely available to its intended biological destination(s) [3]
Clearance
The drug present in the plasma can be removed from the body at the rate of 217 mL/min/kg [4]
Half-life
The concentration or amount of drug in body reduced by one-half in 5.2 +/-1.7 (range 0.4 - 5.5) minutes [4]
Metabolism
The drug is metabolized via the hepatic [2]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 17.4 L/kg [4]
Chemical Identifiers
Formula
C20H22ClN3O
IUPAC Name
4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
Canonical SMILES
CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O
InChI
InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)
InChIKey
OVCDSSHSILBFBN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2165
ChEBI ID
CHEBI:2674
CAS Number
86-42-0
DrugBank ID
DB00613
TTD ID
D04NQI
VARIDT ID
DR00976
INTEDE ID
DR0102

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine N-methyltransferase (HNMT) TT2B6EV HNMT_HUMAN Inhibitor [5]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 1A1 (CYP1A1) DE6OQ3W CP1A1_HUMAN Substrate [6]
Cytochrome P450 1B1 (CYP1B1) DE9QHP6 CP1B1_HUMAN Substrate [6]
Cytochrome P450 2C8 (CYP2C8) DES5XRU CP2C8_HUMAN Substrate [7]
Glutathione S-transferase mu-4 (GSTM4) DERQ52Z GSTM4_HUMAN Substrate [8]
Cytochrome P450 102A1 (cyp102) DE4OGUF CPXB_BACMB Substrate [9]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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