Details of the Drug

General Information of Drug (ID: DMYZJ5B)

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
Disease Entry ICD 11 Status REF
Trypanosomiasis 1D51-1F53 Investigative [1]
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 259.73
Topological Polar Surface Area Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C14H14ClN3
IUPAC Name
10-methylacridin-10-ium-3,6-diamine;chloride
Canonical SMILES
C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.[Cl-]
InChI
KKAJSJJFBSOMGS-UHFFFAOYSA-N
InChIKey
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
Cross-matching ID
PubChem CID
6842
ChEBI ID
CHEBI:383703
CAS Number
86-40-8
INTEDE ID
DR0043

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 1A1 (CYP1A1) DE6OQ3W CP1A1_HUMAN Substrate [2]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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