Details of the Drug

General Information of Drug (ID: DMSLMY7)

Drug Name
11C-PBR-28
Synonyms Radiolabeled benzodiazepine receptor ligands, NIH; Carbon-11-PBR-101; Carbon-11-PBR-28; Fluorine-18-PBR-06; 11C-PBR-01; 18F-PBR-06
Indication
Disease Entry ICD 11 Status REF
Brain disease 8C70-8E61 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 347.4
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H20N2O3
IUPAC Name
N-[(2-(111C)methoxyphenyl)methyl]-N-(4-phenoxypyridin-3-yl)acetamide
Canonical SMILES
CC(=O)N(CC1=CC=CC=C1O[11CH3])C2=C(C=CN=C2)OC3=CC=CC=C3
InChI
InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3/i2-1
InChIKey
DHZBNHMEIOBPAE-JVVVGQRLSA-N
Cross-matching ID
PubChem CID
11653141
CAS Number
1005325-43-8
TTD ID
D0G4YZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Translocator protein (TSPO) TTPTXIN TSPO_HUMAN Binder [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02513589) Molecular Imaging of Inflammation With 18F-PBR06 to Identify Unstable Carotid Plaques in Patients With Stroke.
2 PET imaging with [11C]PBR28 can localize and quantify upregulated peripheral benzodiazepine receptors associated with cerebral ischemia in rat. Neurosci Lett. 2007 Jan 16;411(3):200-5.