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

General Information of Drug (ID: DR1892)
Drug Name
DB-289
Synonyms
Pafuramidine; Pafuramidine [INN]; ZINC6482036; 186953-56-0; AC1NUJ02; CHEMBL319669; CS-1470; H1VG379J2X; N'-methoxy-4-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide; SCHEMBL12348156; UNII-H1VG379J2X
Indication Pneumocystis pneumonia [ICD11: CA40] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 364.4 Topological Polar Surface Area 108
Heavy Atom Count 27 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
5480200
CAS Number
186953-56-0
TTD Drug ID
D09DJO
Formula
C20H20N4O3
Canonical SMILES
CON=C(C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=NOC)N)N
InChI
1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)
InChIKey
UKOQVLAXCBRRGH-UHFFFAOYSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 4F2 (CYP4F2) DME0025 Homo sapiens
CP4F2_HUMAN
1.14.13.30
[2]
References
1 ClinicalTrials.gov (NCT00302341) DB289 Versus TMP-SMX for the Treatment of Acute Pneumocystis Jiroveci Pneumonia (PCP).
2 Human enteric microsomal CYP4F enzymes O-demethylate the antiparasitic prodrug pafuramidine. Drug Metab Dispos. 2007 Nov;35(11):2067-75.

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