Details of the Drug

General Information of Drug (ID: DMF1X5P)

Drug Name
Proflavine
Synonyms
PRL; Proflavin; Proflavina; Proflavinum; Profura; Progarmed; Isoflav base; Proflavine [INN]; Proflavine hemisulfate; Proflavina [INN-Spanish]; Proflavine Hemi-Sulfate; Proflavinum [INN-Latin]; AE-562/12222295; Acridine-3,6-diamine; 2,8-Diaminoacridine; 2,8-Diaminoacridine (European); 2,8-Diaminoacridinium; 3,6-ACRIDINEDIAMINE; 3,6-Acridinediamine hydrochloride; 3,6-Diamino-acridinium; 3,6-Diaminoacridine; 3,6-Diaminoacridine sulfate; 3,6-Diaminoacridinium; 3,7-Diamino-5-azaanthracene
Indication
Disease Entry ICD 11 Status REF
Sepsis 1G40-1G41 Approved [1]
Therapeutic Class
Antiinfective Agents
Affected Organisms
Enteric bacteria and other eubacteria
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 209.25
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H11N3
IUPAC Name
acridine-3,6-diamine
Canonical SMILES
C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N
InChI
InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
InChIKey
WDVSHHCDHLJJJR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
7099
ChEBI ID
CHEBI:8452
CAS Number
92-62-6
UNII
CY3RNB3K4T
DrugBank ID
DB01123
TTD ID
D08GSF
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Deoxyribonucleic acid (Bact DNA) TTS1W4A NOUNIPROTAC Binder [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cellular tumor antigen p53 (TP53) OTIE1VH3 P53_HUMAN Gene/Protein Processing [3]
Estrogen receptor (ESR1) OTKLU61J ESR1_HUMAN Gene/Protein Processing [3]
Nuclear factor erythroid 2-related factor 2 (NFE2L2) OT0HENJ5 NF2L2_HUMAN Gene/Protein Processing [3]
Potassium voltage-gated channel subfamily H member 2 (KCNH2) OTZX881H KCNH2_HUMAN Gene/Protein Processing [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drug information of Proflavine, 2008. eduDrugs.
2 Interaction of small molecules with double-stranded RNA: spectroscopic, viscometric, and calorimetric study of hoechst and proflavine binding to PolyCG structures. DNA Cell Biol. 2009 Apr;28(4):209-19.
3 Identification of Compounds That Inhibit Estrogen-Related Receptor Alpha Signaling Using High-Throughput Screening Assays. Molecules. 2019 Feb 27;24(5):841. doi: 10.3390/molecules24050841.
4 Why are most phospholipidosis inducers also hERG blockers?. Arch Toxicol. 2017 Dec;91(12):3885-3895. doi: 10.1007/s00204-017-1995-9. Epub 2017 May 27.