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]
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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

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

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
DrugBank ID: DB13373
TTD ID: D0N3NL

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]

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.