Details of the Drug

General Information of Drug (ID: DMKWGS1)

Drug Name
PBT-2
Synonyms AD/HD therapy, Prana; Alzheimers/Huntingtons disease therapy (chelating agent), Prana
Indication
Disease Entry ICD 11 Status REF
Alzheimer disease 8A20 Phase 2 [1]
Huntington disease 8A01.10 Phase 2 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 271.14
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H12Cl2N2O
IUPAC Name
5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol
Canonical SMILES
CN(C)CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl
InChI
InChI=1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3
InChIKey
YZPOQCQXOSEMAZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10016012
CAS Number
747408-78-2
TTD ID
D00GXL
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Microtubule-associated protein tau (MAPT) TTS87KH TAU_HUMAN Modulator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Alzheimer disease
ICD Disease Classification 8A20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Microtubule-associated protein tau (MAPT) DTT MAPT 3.76E-06 -0.22 -0.6
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01590888) Effect of PBT2 in Patients With Early to Mid Stage Huntington Disease. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 PBT2 rapidly improves cognition in Alzheimer's Disease: additional phase II analyses. J Alzheimers Dis. 2010;20(2):509-16.