Details of the Drug

General Information of Drug (ID: DMVZO01)

Drug Name

99mTc-sestamibi

Synonyms

Sestamibi; RP-30; Tc-MIBI; Technetium-99m sestamibi

Indication

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
3

Molecular Weight

777.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

12

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

12

Chemical Identifiers

Formula: C36H66N6O6Tc+7
IUPAC Name: 1-isocyano-2-methoxy-2-methylpropane;technetium-99(7+)
Canonical SMILES: CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.[99Tc+7]
InChI: InChI=1S/6C6H11NO.Tc/c6*1-6(2,8-4)5-7-3;/h6*5H2,1-2,4H3;/q;;;;;;+7/i;;;;;;1+1
InChIKey: ZGDBEIODOXIKGQ-KTTJZPQESA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Multidrug resistance-associated protein 1 (ABCC1)	DTSYQGK	MRP1_HUMAN	Substrate	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	99mTc-sestamibi is a substrate for P-glycoprotein and the multidrug resistance-associated protein. Br J Cancer. 1998;77(3):353-8.