Details of the Drug

General Information of Drug (ID: DMM6J5Z)

Drug Name
PQ-912
Indication
Disease Entry ICD 11 Status REF
Dementia 6D80-6D86 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 336.4
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H20N4O2
IUPAC Name
(5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
Canonical SMILES
CCCOC1=CC=C(C=C1)[C@H]2CNC(=O)N2C3=CC4=C(C=C3)N=CN4
InChI
InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1
InChIKey
XHIKZWOEFZENIX-GOSISDBHSA-N
Cross-matching ID
PubChem CID
51030870
ChEBI ID
CHEMBL3659477
CAS Number
1276021-65-8
TTD ID
D0UD4Y
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
Glutaminyl cyclase (QPCT) TTJ7YTV QPCT_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02389413) Safety and Tolerability of PQ912 in Subjects With Early Alzheimer's Disease. U.S. National Institutes of Health.
2 Pyroglutamate-Modified Amyloid Beta Peptides: Emerging Targets for Alzheimer s Disease ImmunotherapyRoxanna Perez-Garmendia, Goar Gevorkian. Curr Neuropharmacol. 2013 September; 11(5): 491-498.