Details of the Drug

General Information of Drug (ID: DMKVE8X)

Drug Name
Acriflavine
Synonyms
Acriflavine; Xanthacridinum; Euflavine; Pantonsiletten; Flavinetten; Assiflavine; Choliflavin; Bialflavina; Vetaflavin; Buroflavin; Tolivalin; Isravin; Diacrid; Zoriflavin; Trachosept; Gonacin; Flavisept; Flavioform; Bovoflavin; Mediflavin; Bioacridin; Angiflan; Tripla-etilo; Glyco-flavine; Acriflavine neutral; Acriflavine [NF]; Caswell No. 008; Euflavin; Flavacridinum hydrochloricum; Trypaflavine Neutral; CCRIS 5617; UNII-1T3A50395T; EPA Pesticide Chemical Code 000501; Acridinium, 3,6-diamino-10-methyl-, chloride, mixt. with 3,6-acridined
Indication
Disease Entry ICD 11 Status REF
Human immunodeficiency virus infection 1C62 Phase 1 [1]
ATC Code
D08AA03: Acriflavine
D08AA: Acridine derivatives
D08A: ANTISEPTICS AND DISINFECTANTS
D08: ANTISEPTICS AND DISINFECTANTS
D: DERMATOLOGICALS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 469
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Chemical Identifiers
Formula
C27H25ClN6
IUPAC Name
acridine-3,6-diamine;10-methylacridin-10-ium-3,6-diamine;chloride
Canonical SMILES
C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.[Cl-]
InChI
InChI=1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1H
InChIKey
PEJLNXHANOHNSU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
443101
CAS Number
8048-52-0
UNII
1T3A50395T
DrugBank ID
DB13373
TTD ID
D0N3NL
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human immunodeficiency virus Integrase (HIV IN) TT5FH9Y POL_HV1B1 Modulator [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Isocitrate dehydrogenase subunit alpha, mitochondrial (IDH3A) OT5QQB5L IDH3A_HUMAN Gene/Protein Processing [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Why have ten or so nontoxic, retrovirus integrase inhibitors not been made available for AIDS treatment. Biomed Pharmacother. 1999 Dec;53(10):484-6.
2 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.