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]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

469

Topological Polar Surface Area

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
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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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	Radium 223 dichloride for prostate cancer treatment. Drug Des Devel Ther. 2017 Sep 6;11:2643-2651.
3	2007 FDA drug approvals: a year of flux. Nat Rev Drug Discov. 2008 Feb;7(2):107-9.
4	2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
5	Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
6	HIV-1 integrase inhibitors: an emerging clinical reality. Drugs R D. 2007;8(3):155-68.
7	The naphthyridinone GSK364735 is a novel, potent human immunodeficiency virus type 1 integrase inhibitor and antiretroviral. Antimicrob Agents Chemother. 2008 Mar;52(3):901-8.
8	Elvitegravir: a new HIV integrase inhibitor. Antivir Chem Chemother. 2009 Oct 19;20(2):79-85.
9	Long-acting shot prevents infection with HIV analogue. Nature. doi:10.1038/nature.2014.14819. 04 March 2014
10	US patent application no. 8,497,270, Macrocyclic integrase inhibitors.