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
CAS Number
1276021-65-8
TTD ID
D0UD4Y

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.