Details of the Drug

General Information of Drug (ID: DM9WEP5)

Drug Name

LJP-1082

Synonyms

Quinacrine azide; 3-Azido-9-((4-(diethylamino)-1-methylbutyl)amino)-7-methoxyacridine; AC1MI36Z; 73332-88-4; 1,4-Pentanediamine, N4-(6-azido-2-methoxy-9-acridinyl)-N1,N1-diethyl-

Indication

Disease Entry	ICD 11	Status	REF
Hughes syndrome	4A45.Z	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

406.5

Logarithm of the Partition Coefficient (xlogp)

6.3

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C23H30N6O
IUPAC Name: 4-N-(6-azido-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
Canonical SMILES: CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)N=[N+]=[N-])OC
InChI: InChI=1S/C23H30N6O/c1-5-29(6-2)13-7-8-16(3)25-23-19-11-9-17(27-28-24)14-22(19)26-21-12-10-18(30-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
InChIKey: OJZRYFDOXJOKNZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3037609
CAS Number: 73332-88-4
TTD ID: D0Y8PM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Beta-2-glycoprotein 1 (APOH)	TT2OUI9	APOH_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800014345)
2	Emergence of targeted immune therapies for systemic lupus. Expert Opin Emerg Drugs. 2005 Feb;10(1):53-65.