Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0864)
Drug Name
Imiquimod
Synonyms
Imiquimod acetate; Imiquimodum; P1QW714R7M; S 26308; S-26308; Zartra; Zyclara; 1-(2-Methylpropyl)-1H-imidazole[4,5-c]quinoline-4-amine; Aldara; Beselna; IMIQUIMOD; 1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine; 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine; 1-isobutyl-1H-imidazo[4,5-c]quinolin-4-amine; 1-isobutylimidazo[4,5-c]quinolin-4-amine; 4-Amino-1-isobutyl-1H-imidazo(4,5-c)quinoline; 4-Amino-1-isobutyl-1H-imidazo[4,5-c]quinoline; 9050-31-1; 99011-02-6; CHEMBL1282; MFCD00866946; R 837; R-837; UNII-P1QW714R7M
Indication Basal cell carcinoma [ICD11: 2C32] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 240.3 Topological Polar Surface Area 56.7
Heavy Atom Count 18 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
57469
PubChem SID
626307 ; 865810 ; 7740549 ; 8185255 ; 12013659 ; 14749564 ; 17396674 ; 17425421 ; 24724516 ; 25623636 ; 26752301 ; 26758924 ; 43115161 ; 46505394 ; 48426262 ; 49835865 ; 50065439 ; 53788646 ; 56313523 ; 57313902 ; 61128040 ; 74724996 ; 85174371 ; 87561300 ; 92309250 ; 92712277 ; 93167017 ; 99437194 ; 103396795 ; 104098475 ; 104312759 ; 117524043 ; 117779671 ; 118046220 ; 124757085 ; 124800125 ; 125163889 ; 125325444 ; 125360574 ; 126592901 ; 126630136 ; 126656817 ; 126670841 ; 127765602 ; 131331797 ; 131789979 ; 134337592 ; 135015330 ; 135698182 ; 136023845
ChEBI ID
ChEBI:36704
CAS Number
99011-02-6
TTD Drug ID
D06CTE
Formula
C14H16N4
Canonical SMILES
CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N
InChI
1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)
InChIKey
DOUYETYNHWVLEO-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005775 Imiquimod Unclear Unclear CYP3A4 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Imiquimod was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.