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

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: CHEMBL3562
CAS Number: 83881-52-1
TTD ID: D0L8ZX

Drug ADMET Endpoint Profile (DAE)^NEW

Click to Jump to the Detailed DAE Information of This Drug

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]

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]

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.