Details of the Drug

General Information of Drug (ID: DMPEHBJ)

Drug Name

OX-NLA

Synonyms

NLA; BLX-NLA; NCX-1510; NO-donating therapeutics, Biolipox; Anti-allergy drug, NicOx/Biolipox; NO-donating allergy therapeutics, Biolipox/Nicox; NO-donating respiratory therapeutics, NicOx/Biolipox; NO-donating therapeutics, Biolipox/Nicox; Liposomal nitric oxide-donating cetirizine derivative (nasal, rhinitis), Biolipox; Nitric oxide-donating cetirizine derivative (liposomal, intranasal, rhinitis), Orexo; OX-NLA (nasal/liposomal formulation, allergic rhinitis/rhinitis); OX-NLA (nasal/liposomal formulation, allergic rhinitis/rhinitis), Meda

Indication

Disease Entry	ICD 11	Status	REF
Allergic rhinitis	CA08.0	Discontinued in Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

461.8

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Chemical Identifiers

Formula: C21H27Cl3N2O3
IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride
Canonical SMILES: C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
InChI: InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H
InChIKey: PGLIUCLTXOYQMV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 55182
ChEBI ID: CHEBI:3562
CAS Number: 83881-52-1
TTD ID: D0L8ZX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine receptor (HR)	TT7CXIM	NOUNIPROTAC	Antagonist	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
ATP-dependent translocase ABCB1 (ABCB1)	OTEJROBO	MDR1_HUMAN	Regulation of Drug Effects	[3]
Cytochrome P450 3A4 (CYP3A4)	OTQGYY83	CP3A4_HUMAN	Gene/Protein Processing	[4]
Histamine H1 receptor (HRH1)	OT8F9FV6	HRH1_HUMAN	Protein Interaction/Cellular Processes	[4]
Polyunsaturated fatty acid 5-lipoxygenase (ALOX5)	OT7FOIK2	LOX5_HUMAN	Gene/Protein Processing	[4]

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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 800020184)
2	Clinical pipeline report, company report or official report of Orexo.
3	P-glycoprotein limits the brain penetration of nonsedating but not sedating H1-antagonists. Drug Metab Dispos. 2003 Mar;31(3):312-8.
4	Cetirizine and loratadine-based antihistamines with 5-lipoxygenase inhibitory activity. Bioorg Med Chem Lett. 2004 Nov 15;14(22):5591-4.