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]

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

461.8

Topological Polar Surface Area

Not Available

Rotatable Bond Count

8

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

5

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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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	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
4	Mechanism of action of MY-1250, an active metabolite of Repirinast, in inhibiting histamine release from rat mast cells. Br J Pharmacol. 1992 Mar;105(3):587-90.
5	Oxidation of histamine H1 antagonist mequitazine is catalyzed by cytochrome P450 2D6 in human liver microsomes. J Pharmacol Exp Ther. 1998 Feb;284(2):437-42.
6	Clinical pipeline report, company report or official report of e-Therapeutics.
7	LCB 2183 inhibits the inflammation associated with oxazolone-induced contact sensitivity. Int J Immunopharmacol. 1994 Aug;16(8):675-83.
8	CA patent application no. 520580, Histamine binding compounds for treatment method for disease conditions mediated by neutrophils.
9	Effects of tesmilifene, a substrate of CYP3A and an inhibitor of P-glycoprotein, on the pharmacokinetics of intravenous and oral docetaxel in rats. J Pharm Pharmacol. 2010 Aug;62(8):1084-8.
10	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800025139)
11	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800016819)