Details of the Drug

General Information of Drug (ID: DMKP45D)

Drug Name

Naproxcinod

Synonyms

Beprana; Nitronaproxen; AR-P900758XX; AZD-3582; HCT-3012; Nitronaproxen, NicOx; NO-naproxen, AstraZeneca; NO-naproxen, NicOx; NO-NSAID, NicOx/AstraZeneca; Nitric oxide-donating derivative of naproxen (oral, osteoarthritis), NicOx

Indication

Disease Entry	ICD 11	Status	REF
Inflammation	1A00-CA43.1	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

347.4

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C18H21NO6
IUPAC Name: 4-nitrooxybutyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Canonical SMILES: C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCCO[N+](=O)[O-]
InChI: InChI=1S/C18H21NO6/c1-13(18(20)24-9-3-4-10-25-19(21)22)14-5-6-16-12-17(23-2)8-7-15(16)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3/t13-/m0/s1
InChIKey: AKFJWRDCWYYTIG-ZDUSSCGKSA-N

Cross-matching ID

PubChem CID: 9884642
ChEBI ID: CHEBI:76254
CAS Number: 163133-43-5
DrugBank ID: DB06682
TTD ID: D0U5OU

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase (COX)	TTK0943	PGH1_HUMAN ; PGH2_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT00541489) Efficacy and Safety Study of Naproxcinod in Subjects With Osteoarthritis of the Hip. U.S. National Institutes of Health.
2	Naproxcinod, a new cyclooxygenase-inhibiting nitric oxide donator (CINOD). Expert Opin Biol Ther. 2009 May;9(5):649-57.