Details of the Drug

General Information of Drug (ID: DMKL5AT)

Drug Name
Flurpiridaz F 18
Synonyms
Flurpiridaz (18F); PET myocardial perfusion imaging agents, Bristol-Myers Squibb Medical Imaging; RP-1003-18; RP-1004-18; RP-1005-18; [18F]-RP-1003; [18F]-RP-1004; [18F]-RP-1005; [18F]-labeled PET myocardial perfusion imaging agents, Lantheus Medical Imaging; BMS-747158-02-[18F]; Fluorine-18-BMS-747158; [18F]-labeled MC-1 inhibitors (MPIAs), Lantheus Medical Imaging; [18F]-labeled MC-1 inhibitors, Bristol-Myers Squibb Medical Imaging; [18fluorine]-labeled mitochondrial complex-1 inhibitors, Bristol-Myers Squibb Medical Imaging; 18F-BMS-747158-02
Indication
Disease Entry ICD 11 Status REF
Myocardial disease BC43.20 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 367.8
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H22ClFN2O3
IUPAC Name
2-tert-butyl-4-chloro-5-[[4-(2-(18F)fluoranylethoxymethyl)phenyl]methoxy]pyridazin-3-one
Canonical SMILES
CC(C)(C)N1C(=O)C(=C(C=N1)OCC2=CC=C(C=C2)COCC[18F])Cl
InChI
InChI=1S/C18H22ClFN2O3/c1-18(2,3)22-17(23)16(19)15(10-21-22)25-12-14-6-4-13(5-7-14)11-24-9-8-20/h4-7,10H,8-9,11-12H2,1-3H3/i20-1
InChIKey
RMXZKEPDYBTFOS-LRFGSCOBSA-N
Cross-matching ID
PubChem CID
11405965
CAS Number
863887-89-2
TTD ID
D0U1VZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Mitochondrial complex I (NDUFA13) TTRU1NG NDUAD_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01347710) A Phase 3 Multi-center Study to Assess PET Imaging of Flurpiridaz F 18 Injection in Patients With CAD.. U.S. National Institutes of Health.
2 The next generation of cardiac positron emission tomography imaging agents: discovery of flurpiridaz F-18 for detection of coronary disease. Semin Nucl Med. 2011 Jul;41(4):305-13.