Details of the Drug

General Information of Drug (ID: DMA65ER)

Drug Name

Nipradilol

Synonyms

Nipradilol; Nipradolol; Hypadil; 81486-22-8; Nipradilolum [Latin]; Nipradilol [INN:JAN]; UNII-FVM336I71Y; Hypadil (TN); CCRIS 2515; K 351; BRN 3566879; FVM336I71Y; 8-(2-Hydroxy-3-(isopropylamino)propoxy)chroman-3-yl nitrate; C15H22N2O6; 8-(2-Hydroxy-3-(isopropylamino)propoxy)-3-chromanyl nitrat; 8-(2-Hydroxy-3-(isopropylamino)propoxy)-3-chromanol 3-nitrate; K-351; 3,4-Dihydro-8-(2-hydroxy-3-isopropylamino)propoxy-3-nitroxy-2H-1-benzopyran; 3,4-Dihydro-8-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2H-1-benzopyran-3-ol 3-nitra

Indication

Disease Entry	ICD 11	Status	REF
Angina pectoris	BA40	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

326.34

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C15H22N2O6
IUPAC Name: [8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromen-3-yl] nitrate
Canonical SMILES: CC(C)NCC(COC1=CC=CC2=C1OCC(C2)O[N+](=O)[O-])O
InChI: InChI=1S/C15H22N2O6/c1-10(2)16-7-12(18)8-21-14-5-3-4-11-6-13(23-17(19)20)9-22-15(11)14/h3-5,10,12-13,16,18H,6-9H2,1-2H3
InChIKey: OMCPLEZZPVJJIS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 72006
ChEBI ID: CHEBI:31682
CAS Number: 81486-22-8
TTD ID: D09SSC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-3 (ADRB3)	TTMXGCW	ADRB3_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Angina pectoris

ICD Disease Classification

BA40

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor beta-3 (ADRB3)	DTT	ADRB3	7.81E-01	0.02	0.16

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Actions of nipradilol (K-351), a new alpha- and beta-adrenoceptor blocker, on the rabbit portal vein. Jpn J Pharmacol. 1984 Aug;35(4):359-69.