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

General Information of Drug (ID: DR0043)
Drug Name
Acriflavinium chloride
Synonyms
Acriflavine (component of); Acriflavon; Burnol; Chromoflavine; Flavine; Flavosan; Gonacrine; Gonocrin; Neutroflavine; Panflavin; Trypaflavin; Xanthacridine; ACRIFLAVINIUM HYDROCHLORIDE; 10-methylacridine-3,6-diamine, chloride; 1TW3Q60E36; 3,6-DIAMINO-10-METHYLACRIDINIUM CHLORIDE; 3,6-diamino-10-methylacridin-10-ium chloride; 86-40-8; Acridinium, 3,6-diamino-10-methyl-, chloride; Acridinium, 3,6-diamino-10-methyl-, chloride (1:1); Avlon; C.I. 46000; CCRIS 2116; CHEBI:383703; EINECS 201-668-8; NSC 2755; NSC2755; UNII-1TW3Q60E36
Indication Trypanosomiasis [ICD11: 1F51] Investigative [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 259.73 Topological Polar Surface Area 55.9
Heavy Atom Count 18 Rotatable Bond Count 0
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
6842
ChEBI ID
CHEBI:383703
CAS Number
86-40-8
Formula
C14H14ClN3
Canonical SMILES
C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.[Cl-]
InChI
1S/C14H13N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;/h2-8H,1H3,(H3,15,16);1H
InChIKey
KKAJSJJFBSOMGS-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
Proflavine DM001702
7099
Unclear 1 [3]
Trypaflavine DM001699
22394
Unclear 1 [3]
3-N-beta-D-glucuronosyl trypaflavine DM001700 N. A. Conjugation - Glucuronidation 2 [3]
3-N-beta-glucuronosyl proflavine DM001703 N. A. Unclear 2 [3]
3-N-beta-D-di-glucuronosyl trypaflavine DM001701 N. A. Conjugation - Glucuronidation 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000060 Acriflavinium chloride Trypaflavine Unclear Unclear [3]
MR000061 Acriflavinium chloride Proflavine Unclear Unclear [3]
MR000059 Proflavine 3-N-beta-glucuronosyl proflavine Unclear Unclear [3]
MR000057 Trypaflavine 3-N-beta-D-glucuronosyl trypaflavine Conjugation - Glucuronidation Unclear [3]
MR000058 3-N-beta-D-glucuronosyl trypaflavine 3-N-beta-D-di-glucuronosyl trypaflavine Conjugation - Glucuronidation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A1 (CYP1A1) DME0006 Homo sapiens
CP1A1_HUMAN
1.14.14.1
[2]
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
References
1 Acriflavine. Written by: the editors of encyclopaedia britannica see article history.
2 Activation of the antitumor agent aminoflavone (NSC 686288) is mediated by induction of tumor cell cytochrome P450 1A1/1A2. Mol Pharmacol. 2002 Jul;62(1):143-53.
3 Pharmacokinetics and metabolism of acriflavine in rats following intravenous or intramuscular administration of AG60, a mixture of acriflavine and guanosine, a potential antitumour agent Xenobiotica. 2005 Jul;35(7):755-73. doi: 10.1080/00498250500188073.

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