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]
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
UNII
65O9DMS368
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]
Molecular Interaction Atlas (MIA) 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) 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.