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

General Information of Drug (ID: DR1897)
Drug Name
Iclaprim
Synonyms
Iclaprim; Iclaprim (USAN/INN); Iclaprim [USAN:INN]; Mersarex; RO-48-2622; SCHEMBL379386; 192314-93-5; AR 100; AR-100; AR-101; 2,4-Pyrimidinediamine, 5-((2-cyclopropyl-7,8-dimethoxy-2H-1-benzopyran-5-yl)methyl)-; 2,4-Pyrimidinediamine, 5-[(2-cyclopropyl-7,8-dimethoxy-2H-1-benzopyran-5-yl)methyl]-; 5-((2-Cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl)pyrimidine-2,4-diamine; 5-[(2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl)methyl]pyrimidine-2,4-diamine; AC1L4U54; AC1Q4WM5; BDBM18070; CHEMBL134561; CTK4E0971; SCHEMBL12899446
Indication Methicillin-resistant staphylococcus infection [ICD11: 1D01] Approved []
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 354.4 Topological Polar Surface Area 106
Heavy Atom Count 26 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
213043
PubChem SID
3718053 ; 9371111 ; 12015142 ; 14827948 ; 30417281 ; 46518185 ; 51856367 ; 57399657 ; 96025024 ; 103143359 ; 103370169 ; 113453161 ; 117521375 ; 125714602 ; 128122761 ; 134339306 ; 135187737 ; 137248747 ; 141423211 ; 162809288 ; 164761119 ; 179322565 ; 204371120 ; 225211772 ; 226710564 ; 237913562
ChEBI ID
CHEBI:131751
CAS Number
192314-93-5
TTD Drug ID
D04LBC
Formula
C19H22N4O3
Canonical SMILES
COC1=C(C2=C(C=CC(O2)C3CC3)C(=C1)CC4=CN=C(N=C4N)N)OC
InChI
1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)
InChIKey
HWJPWWYTGBZDEG-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 [1]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005774 Iclaprim Unclear Unclear CYP2C19 ... [1]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[1]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[1]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[1]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[1]
References
1 An updated review of iclaprim: a potent and rapidly bactericidal antibiotic for the treatment of skin and skin structure infections and nosocomial pneumonia caused by gram-positive including multidrug-resistant bacteria. Open Forum Infect Dis. 2018 Jan 6;5(2):ofy003.

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