Modelling plasma and urine data of a parent and metabolite
Dear nmusers-team,
I tried to model the pk profiles of a drug and its major metabolite in plasma and urine after single oral dose of 30mg. I get the following message corresponding to urine compartment event: SPECIFIED COMPARTMENT MAY NOT BE TURNED OFF WITH AN OBSERVATION RECORD
My controle file and a sample of data file likes:
$INPUT ID TIME AMT UVOL DV CMT MDV EVID CALL AGE HIGH WT
$DATA ALL_DATA.txt IGNORE=#
$SUBROUTINES ADVAN6 TRANS1 TOL=4
$MODEL
COMP=DEPOT
COMP=PLASMA ;PARENT IN PLASMA
COMP=METAB ;METABOLITE IN PLASMA
COMP=DEXURIN ;PARENT IN URINE
COMP=DORURIN ;DEXTROR IN URINE
$PK
KA=THETA(1)
V2=THETA(2)*EXP(ETA(1))
CLP=THETA(3)*EXP(ETA(2)) ;RENAL CL FOR PARENT
CLB=THETA(4) ;METABOLIC CL FOR METABOLIC
CLMR=THETA(5) ;RENAL CL FOR METABOLITE
CLMNR=THETA(6) ;EXTR RENAL CLEARANCE FOR METABOLITE
ALAG1=THETA(7)
V3=1
K23=CLB/V2
K24=CLP/V2
K35=CLMR/V3
K36=CLMNR/V3
S2=V2
S3=V3
S4=UVOL
S5=UVOL
$ERROR
DEL=0
IF(F.EQ.0) DEL=0.0001
W=F
IPRED=F
IRES=DV-IPRED
IWRES=IRES/(W+DEL)
Y=F*EXP(EPS(1))+EPS(2)
$DES
DADT(1)=-KA*A(1)
DADT(2)=KA*A(1)-K24*A(2)-K23*A(2)
DADT(3)=K23*A(2)-K35*A(3)-K36*A(3)
DADT(4)=K24*A(2)
DADT(5)=K35*A(3)
$THETA
(0.01,0.8,6) ;KA
(0.01,43,1000);V2
(0.0001,20,190);CLP
(0.01,15,90);CLB
(0.0001,5,90);CLMR
(0.0001,5,90);CLMR
(0.01,0.2,6) ;ALAG1
$OMEGA
0.05 0.05
$SIGMA
0.2 0.1
$EST POSTHOC PRINT=5 NOABORT MAXEVAL=9999
#ID TIME AMT UVOL DV CMT MDV EVID CALL
2 0.000 30000 0 0 1 1 1 2
2 0.000 0 0 0.000 2 1 0 2
2 0.000 0 0 0.000 3 1 0 2
2 0.171 0 0 0.000 4 1 2 2
2 0.171 0 0 0.000 5 1 2 2
2 2.000 0 0 5.352 2 0 0 2
2 2.000 0 0 5.352 3 0 0 2
2 2.001 0 93.1 880.400 -5 0 0 2
2 2.001 0 93.1 18.215 -4 0 0 2
2 2.002 0 0 0.000 4 1 2 2
2 2.002 0 0 0.000 5 1 2 2
2 3.150 0 0 0.000 2 1 0 2
2 3.150 0 0 0.000 3 1 0 2
2 3.950 0 133.6 962.533 -5 0 0 2
2 3.950 0 133.6 27.697 -4 0 0 2
2 3.951 0 0 0.000 4 1 2 2
2 3.951 0 0 0.000 5 1 2 2
2 6.000 0 0 1.952 2 0 0 2
2 6.000 0 0 1.952 3 0 0 2
2 6.001 0 267.6 289.962 -5 0 0 2
2 6.001 0 267.6 10.200 -4 0 0 2
Thanks in advance for your response.
khaled