Details of the Drug

General Information of Drug (ID: DMECB4H)

Drug Name

Levopropoxyphene Napsylate Anhydrous

Synonyms

Novrad

Indication

Disease Entry	ICD 11	Status	REF
Cough	MD12	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

547.7

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

10

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C32H37NO5S
IUPAC Name: [(2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;naphthalene-2-sulfonic acid
Canonical SMILES: CCC(=O)O[C@@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@@H](C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O
InChI: InChI=1S/C22H29NO2.C10H8O3S/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13)/t18-,22+;/m0./s1
InChIKey: VZPXFHVJUUSVLH-VNJAQMQMSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuronal acetylcholine receptor alpha-3/beta-4 (CHRNA3/B4)	TT35UGH	ACHA3_HUMAN-ACHB4_HUMAN	Modulator	[2]
Opioid receptor mu (MOP)	TTKWM86	OPRM_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Cough

ICD Disease Classification

MD12

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Opioid receptor mu (MOP)	DTT	OPRM1	5.94E-01	-0.02	-0.17

Molecular Expression Atlas (MEA)

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References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.