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
ChEBI ID
CHEMBL253597
CAS Number
1005325-43-8
TTD ID
D0G4YZ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.