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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.