Details of the Drug

General Information of Drug (ID: DMDJLY9)

Drug Name

NM-702

Synonyms

NM-702; Parogrelil hydrochloride; UNII-65O9DMS368; 65O9DMS368; NM702; NM 702; 878796-94-2; SCHEMBL1739368; QWGUGDYWUADMGB-UHFFFAOYSA-N; 3(2H)-Pyridazinone, 4-bromo-6-(3-(4-chlorophenyl)propoxy)-5-((3-pyridinylmethyl)amino)-, hydrochloride (1:1); 139145-84-9; 4-bromo-6-(3-(4-chlorophenyl)propoxy)-5-(3-pyridylmethylamino)-3(2H)-pyridazinone hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Angina pectoris	BA40	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

486.2

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

8

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C19H19BrCl2N4O2
IUPAC Name: 5-bromo-3-[3-(4-chlorophenyl)propoxy]-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one;hydrochloride
Canonical SMILES: C1=CC(=CN=C1)CNC2=C(C(=O)NN=C2OCCCC3=CC=C(C=C3)Cl)Br.Cl
InChI: InChI=1S/C19H18BrClN4O2.ClH/c20-16-17(23-12-14-3-1-9-22-11-14)19(25-24-18(16)26)27-10-2-4-13-5-7-15(21)8-6-13;/h1,3,5-9,11H,2,4,10,12H2,(H2,23,24,26);1H
InChIKey: QWGUGDYWUADMGB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9848253
CAS Number: 878796-94-2
DrugBank ID: DB05505
TTD ID: D06LFV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase (PDE)	TTUST1O	NOUNIPROTAC	Inhibitor	[2]
Thromboxane-A synthase (TBXAS1)	TTKNWZ4	THAS_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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
Thromboxane-A synthase (TBXAS1)	DTT	TBXAS1	6.56E-01	0.02	0.08

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Application of adaptive design and decision making to a phase II trial of a phosphodiesterase inhibitor for the treatment of intermittent claudication. Trials. 2011; 12: 134.
2	The novel phosphodiesterase inhibitor NM-702 improves claudication-limited exercise performance in patients with peripheral arterial disease. J Am Coll Cardiol. 2006 Dec 19;48(12):2539-45.